3-[[4-(2-cyanophenyl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylic acid Openeye Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-thioxo-1H-benzimidazole-4-carboxylic acid CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylic acid IUPAC Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylic acid Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-2-thioxo-1H-benzimidazole-4-carboxylic acid 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)CN3C4=C(C=CC=C4NC3=S)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C4=C(C=CC=C4NC3=S)C(=O)O

InChI

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