3-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridine-2-carboxylic acid

Systemtic Name: 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridine-2-carboxylic acid Openeye Name: 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridine-2-carboxylic acid CAS Name: 3-[[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]methyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridine-2-carboxylic acid Traditional Name: 3-[[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]methyl]picolinic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SCC3=C(N=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCC3=C(N=CC=C3)C(=O)O

InChI

InChI=1S/C16H15N3O2S/c1-9-6-12-13(7-10(9)2)19-16(18-12)22-8-11-4-3-5-17-14(11)15(20)21/h3-7H,8H2,1-2H3,(H,18,19)(H,20,21)