N-[3-[2-[2-[2,5-bis(chloranyl)-4-[2-[[6-ethoxy-2-(4-methylphenyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]sulfanyl]phenyl]sulfinamoyloxy-phenyl]-4-cyano-pyrazol-3-yl]hydrazinyl]-5-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]ethanamide

Systemtic Name: N-[3-[2-[2-[2,5-bis(chloranyl)-4-[2-[[6-ethoxy-2-(4-methylphenyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]sulfanyl]phenyl]sulfinamoyloxy-phenyl]-4-cyano-pyrazol-3-yl]hydrazinyl]-5-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]ethanamide Openeye Name: N-[5-chloro-3-[2-[4-cyano-2-[2,5-dichloro-4-[2-[[6-ethoxy-2-(p-tolyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]sulfanyl]phenyl]sulfinamoyloxy-phenyl]pyrazol-3-yl]hydrazino]-6-oxo-cyclohexa-2,4-dien-1-ylidene]acetamide CAS Name: N-[5-chloro-3-[[4-cyano-2-[2,5-dichloro-4-[2-[[6-ethoxy-2-(4-methylphenyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]thio]phenyl]sulfinamoyloxyphenyl]-3-pyrazolyl]hydrazo]-6-oxo-1-cyclohexa-2,4-dienylidene]acetamide IUPAC Name: N-[5-chloro-3-[2-[4-cyano-2-[2,5-dichloro-4-[2-[[6-ethoxy-2-(4-methylphenyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]sulfanyl]phenyl]sulfinamoyloxyphenyl]pyrazol-3-yl]hydrazinyl]-6-oxocyclohexa-2,4-dien-1-ylidene]acetamide Traditional Name: N-[5-chloro-3-[N'-[4-cyano-2-[2,5-dichloro-4-[2-[[6-ethoxy-2-(p-tolyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-7-yl]thio]phenyl]sulfinamoyloxy-phenyl]pyrazol-3-yl]hydrazino]-6-keto-cyclohexa-2,4-dien-1-ylidene]acetamide Formula: C37H28Cl3N11O5S2 MolecularWeight: 877.17792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN2C(=C1SC3=CC=CC=C3NS(=O)OC4=C(C=C(C(=C4)Cl)N5C(=C(C=N5)C#N)NNC6=CC(=NC(=O)C)C(=O)C(=C6)Cl)Cl)N=C(N2)C7=CC=C(C=C7)C

Isomeric SMILES

CCOC1=NN2C(=C1SC3=CC=CC=C3NS(=O)OC4=C(C=C(C(=C4)Cl)N5C(=C(C=N5)C#N)NNC6=CC(=NC(=O)C)C(=O)C(=C6)Cl)Cl)N=C(N2)C7=CC=C(C=C7)C

InChI

InChI=1S/C37H28Cl3N11O5S2/c1-4-55-37-33(36-44-34(47-51(36)48-37)21-11-9-19(2)10-12-21)57-31-8-6-5-7-27(31)49-58(54)56-30-16-24(38)29(15-25(30)39)50-35(22(17-41)18-42-50)46-45-23-13-26(40)32(53)28(14-23)43-20(3)52/h5-16,18,45-46,49H,4H2,1-3H3,(H,44,47)