4-[[3-[(3,5-dimethylphenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]pyridine-2-carboxylic acid

Systemtic Name: 4-[[3-[(3,5-dimethylphenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]pyridine-2-carboxylic acid Openeye Name: 4-[[3-[(3,5-dimethylphenyl)carbamoyl]-2-pyridyl]sulfanylmethyl]pyridine-2-carboxylic acid CAS Name: 4-[[[3-[(3,5-dimethylanilino)-oxomethyl]-2-pyridinyl]thio]methyl]-2-pyridinecarboxylic acid IUPAC Name: 4-[[3-[(3,5-dimethylphenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]pyridine-2-carboxylic acid Traditional Name: 4-[[[3-[(3,5-dimethylphenyl)carbamoyl]-2-pyridyl]thio]methyl]picolinic acid Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)C(=O)O)C

InChI

InChI=1S/C21H19N3O3S/c1-13-8-14(2)10-16(9-13)24-19(25)17-4-3-6-23-20(17)28-12-15-5-7-22-18(11-15)21(26)27/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)