5-[2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanylbutanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanylbutanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]butanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-1-oxobutyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanylbutanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]butanoylamino]-2-chloro-benzoic acid Formula: C24H18ClN5O3S MolecularWeight: 491.94942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H18ClN5O3S/c1-2-19(22(31)29-14-8-9-18(25)15(10-14)24(32)33)34-23-17(12-27)20(13-6-4-3-5-7-13)16(11-26)21(28)30-23/h3-10,19H,2H2,1H3,(H2,28,30)(H,29,31)(H,32,33)