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

Systemtic Name: butyl 4-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-2-3-12-28-20(27)16-10-8-15(9-11-16)13-22-25-19(26)14-29-21-23-17-6-4-5-7-18(17)24-21/h4-11,13H,2-3,12,14H2,1H3,(H,23,24)(H,25,26)/b22-13+