2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(1-methyl-2-imidazolyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(1-methylimidazol-2-yl)methylthio]nicotinic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CN1C=CN=C1CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C11H11N3O2S/c1-14-6-5-12-9(14)7-17-10-8(11(15)16)3-2-4-13-10/h2-6H,7H2,1H3,(H,15,16)