2-chloranyl-5-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(3-cyano-6-propyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[2-[(3-cyano-6-propyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-(3-cyano-6-propylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(3-cyano-6-propyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H16ClN3O3S/c1-2-3-12-5-4-11(9-20)17(22-12)26-10-16(23)21-13-6-7-15(19)14(8-13)18(24)25/h4-8H,2-3,10H2,1H3,(H,21,23)(H,24,25)