2-[2-(dimethylcarbamoyl)pyridin-4-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(dimethylcarbamoyl)pyridin-4-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[[2-(dimethylcarbamoyl)-4-pyridyl]sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[2-[dimethylamino(oxo)methyl]-4-pyridinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(dimethylcarbamoyl)pyridin-4-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(dimethylcarbamoyl)-4-pyridyl]thio]nicotinic acid Formula: C14H13N3O3S MolecularWeight: 303.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NC=CC(=C1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CN(C)C(=O)C1=NC=CC(=C1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H13N3O3S/c1-17(2)13(18)11-8-9(5-7-15-11)21-12-10(14(19)20)4-3-6-16-12/h3-8H,1-2H3,(H,19,20)