propyl 4-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate

Systemtic Name: propyl 4-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate Openeye Name: propyl 4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid propyl ester IUPAC Name: propyl 4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[2-(1H-benzimidazol-2-ylthio)acetyl]hydrazono]methyl]benzoic acid propyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H20N4O3S/c1-2-11-27-19(26)15-9-7-14(8-10-15)12-21-24-18(25)13-28-20-22-16-5-3-4-6-17(16)23-20/h3-10,12H,2,11,13H2,1H3,(H,22,23)(H,24,25)/b21-12+