3-[3-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[3-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C24H19N5O3S MolecularWeight: 457.50436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=CC(=C3)C(=O)O)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=CC(=C3)C(=O)O)N)C#N

InChI

InChI=1S/C24H19N5O3S/c1-14-5-7-15(8-6-14)21-18(12-25)22(27)29-23(19(21)13-26)33-10-9-20(30)28-17-4-2-3-16(11-17)24(31)32/h2-8,11H,9-10H2,1H3,(H2,27,29)(H,28,30)(H,31,32)