[4-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazono]methyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-[[2-(1H-benzimidazol-2-ylthio)acetyl]hydrazono]methyl]phenyl] ester Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CO4

InChI

InChI=1S/C21H16N4O4S/c26-19(13-30-21-23-16-4-1-2-5-17(16)24-21)25-22-12-14-7-9-15(10-8-14)29-20(27)18-6-3-11-28-18/h1-12H,13H2,(H,23,24)(H,25,26)/b22-12+