2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=NC4=C(N3)C=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=NC4=C(N3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C17H14N4O2S/c1-9-2-4-12-13(6-9)21-17(20-12)24-8-15-18-11-5-3-10(16(22)23)7-14(11)19-15/h2-7H,8H2,1H3,(H,18,19)(H,20,21)(H,22,23)