N-[2-[[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-cyano-5-methyl-pyrazol-3-yl]diazenyl]-5-[(4-chlorophenyl)-ethyl-amino]phenyl]ethanamide

Systemtic Name: N-[2-[[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-cyano-5-methyl-pyrazol-3-yl]diazenyl]-5-[(4-chlorophenyl)-ethyl-amino]phenyl]ethanamide Openeye Name: N-[5-(4-chloro-N-ethyl-anilino)-2-[4-cyano-2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]azo-phenyl]acetamide CAS Name: N-[5-(4-chloro-N-ethylanilino)-2-[[4-cyano-2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]azo]phenyl]acetamide IUPAC Name: N-[5-(4-chloro-N-ethylanilino)-2-[[4-cyano-2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]diazenyl]phenyl]acetamide Traditional Name: N-[5-(4-chloro-N-ethyl-anilino)-2-[4-cyano-2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]azo-phenyl]acetamide Formula: C25H26ClN7O3S MolecularWeight: 540.03704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)N=NC3=C(C(=NN3C4CCS(=O)(=O)C4)C)C#N)NC(=O)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)N=NC3=C(C(=NN3C4CCS(=O)(=O)C4)C)C#N)NC(=O)C

InChI

InChI=1S/C25H26ClN7O3S/c1-4-32(19-7-5-18(26)6-8-19)20-9-10-23(24(13-20)28-17(3)34)29-30-25-22(14-27)16(2)31-33(25)21-11-12-37(35,36)15-21/h5-10,13,21H,4,11-12,15H2,1-3H3,(H,28,34)