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

Systemtic Name: 2-[2-(dimethylcarbamoyl)pyridin-4-yl]sulfanylbenzoic acid Openeye Name: 2-[[2-(dimethylcarbamoyl)-4-pyridyl]sulfanyl]benzoic acid CAS Name: 2-[[2-[dimethylamino(oxo)methyl]-4-pyridinyl]thio]benzoic acid IUPAC Name: 2-[2-(dimethylcarbamoyl)pyridin-4-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-(dimethylcarbamoyl)-4-pyridyl]thio]benzoic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NC=CC(=C1)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN(C)C(=O)C1=NC=CC(=C1)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H14N2O3S/c1-17(2)14(18)12-9-10(7-8-16-12)21-13-6-4-3-5-11(13)15(19)20/h3-9H,1-2H3,(H,19,20)