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

Systemtic Name: 4-[2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-10-11(2)15(8-19)17(20-12(10)3)25-9-16(22)21-14-6-4-13(5-7-14)18(23)24/h4-7H,9H2,1-3H3,(H,21,22)(H,23,24)