[4-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-[[2-(1H-benzimidazol-2-ylthio)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C24H19N5O6S MolecularWeight: 505.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3N2)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H19N5O6S/c1-34-21-11-15(9-10-20(21)35-23(31)16-5-4-6-17(12-16)29(32)33)13-25-28-22(30)14-36-24-26-18-7-2-3-8-19(18)27-24/h2-13H,14H2,1H3,(H,26,27)(H,28,30)/b25-13+