2-[[2-(but-3-enoylamino)pyridin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[[2-(but-3-enoylamino)pyridin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[[2-(but-3-enoylamino)-4-pyridyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(1-oxobut-3-enylamino)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: 2-[[2-(but-3-enoylamino)pyridin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(but-3-enoylamino)-4-pyridyl]methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C24H24N4O2S MolecularWeight: 432.53796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CC=C)C

InChI

InChI=1S/C24H24N4O2S/c1-4-6-22(29)28-21-14-18(8-10-25-21)15-31-24-20(7-5-9-26-24)23(30)27-19-12-16(2)11-17(3)13-19/h4-5,7-14H,1,6,15H2,2-3H3,(H,27,30)(H,25,28,29)