[4-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazono]methyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[[[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[[[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C29H23N5O4S MolecularWeight: 537.58902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)OC(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)OC(=O)C5=CN=CC=C5

InChI

InChI=1S/C29H23N5O4S/c1-37-26-15-20(10-13-25(26)38-28(36)22-5-4-14-30-17-22)16-31-34-27(35)21-11-8-19(9-12-21)18-39-29-32-23-6-2-3-7-24(23)33-29/h2-17H,18H2,1H3,(H,32,33)(H,34,35)