methyl 4-[(Z)-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(Z)-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazono]methyl]benzoate CAS Name: 4-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]hydrazono]methyl]benzoic acid methyl ester Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N\NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N5O3S/c1-33-24(32)20-14-12-18(13-15-20)16-26-27-22(31)17-34-25-29-28-23(19-8-4-2-5-9-19)30(25)21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,27,31)/b26-16-