2-[(2-methylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-methylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-methyl-4-pyridyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-methyl-4-pyridinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-methylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-methyl-4-pyridyl)methylthio]nicotinic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H12N2O2S/c1-9-7-10(4-6-14-9)8-18-12-11(13(16)17)3-2-5-15-12/h2-7H,8H2,1H3,(H,16,17)