2-[2-(methylcarbamoyl)pyridin-4-yl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(methylcarbamoyl)pyridin-4-yl]sulfanylbenzoic acid Openeye Name: 2-[[2-(methylcarbamoyl)-4-pyridyl]sulfanyl]benzoic acid CAS Name: 2-[[2-(methylcarbamoyl)-4-pyridinyl]thio]benzoic acid IUPAC Name: 2-[2-(methylcarbamoyl)pyridin-4-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-(methylcarbamoyl)-4-pyridyl]thio]benzoic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC=CC(=C1)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CNC(=O)C1=NC=CC(=C1)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H12N2O3S/c1-15-13(17)11-8-9(6-7-16-11)20-12-5-3-2-4-10(12)14(18)19/h2-8H,1H3,(H,15,17)(H,18,19)