5-[2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O)N)C#N

InChI

InChI=1S/C19H17N5O4S/c1-9(2)16-12(6-20)17(22)24-18(13(16)7-21)29-8-15(26)23-10-3-4-14(25)11(5-10)19(27)28/h3-5,9,25H,8H2,1-2H3,(H2,22,24)(H,23,26)(H,27,28)