4-[3-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[3-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[3-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[3-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCCC(=O)NC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCCC(=O)NC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C19H19N3O3S/c1-11-12(2)16(10-20)18(21-13(11)3)26-9-8-17(23)22-15-6-4-14(5-7-15)19(24)25/h4-7H,8-9H2,1-3H3,(H,22,23)(H,24,25)