[4-(2-cyanophenyl)phenyl]methyl 2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 2-thioxo-1,3-dihydrobenzimidazole-4-carboxylate CAS Name: 2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxylate Traditional Name: 2-thioxo-1,3-dihydrobenzimidazole-4-carboxylic acid [4-(2-cyanophenyl)benzyl] ester Formula: C22H15N3O2S MolecularWeight: 385.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)C3=C4C(=CC=C3)NC(=S)N4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)C3=C4C(=CC=C3)NC(=S)N4

InChI

InChI=1S/C22H15N3O2S/c23-12-16-4-1-2-5-17(16)15-10-8-14(9-11-15)13-27-21(26)18-6-3-7-19-20(18)25-22(28)24-19/h1-11H,13H2,(H2,24,25,28)