4-[2-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzamide

Systemtic Name: 4-[2-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzamide Openeye Name: 4-[2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]butanoylamino]benzamide CAS Name: 4-[[2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-1-oxobutyl]amino]benzamide IUPAC Name: 4-[2-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzamide Traditional Name: 4-[2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]butanoylamino]benzamide Formula: C25H22N6O2S MolecularWeight: 470.54618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N6O2S/c1-3-20(24(33)30-17-10-8-16(9-11-17)23(29)32)34-25-19(13-27)21(18(12-26)22(28)31-25)15-6-4-14(2)5-7-15/h4-11,20H,3H2,1-2H3,(H2,28,31)(H2,29,32)(H,30,33)