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

Systemtic Name: 5-[2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C22H15N5O4S MolecularWeight: 445.4506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O)N)C#N

InChI

InChI=1S/C22H15N5O4S/c23-9-15-19(12-4-2-1-3-5-12)16(10-24)21(27-20(15)25)32-11-18(29)26-13-6-7-17(28)14(8-13)22(30)31/h1-8,28H,11H2,(H2,25,27)(H,26,29)(H,30,31)