2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)propyl]ethanehydrazide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)propyl]ethanehydrazide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)propyl]acetohydrazide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N'-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)propyl]acetohydrazide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)propyl]acetohydrazide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)propyl]acetohydrazide Formula: C30H33N5O3S MolecularWeight: 543.67972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=CC(=O)C=C1)NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC(=C1C=CC(=O)C=C1)NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C30H33N5O3S/c1-6-26(20-9-15-24(36)16-10-20)31-32-27(37)19-39-29-34-33-28(21-7-11-22(12-8-21)30(2,3)4)35(29)23-13-17-25(38-5)18-14-23/h7-18,31H,6,19H2,1-5H3,(H,32,37)