2-[[2-(2-chloranylethanoylamino)pyridin-4-yl]methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[[2-(2-chloranylethanoylamino)pyridin-4-yl]methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide Openeye Name: 2-[[2-[(2-chloroacetyl)amino]-4-pyridyl]methylsulfanyl]-N-(m-tolyl)pyridine-3-carboxamide CAS Name: 2-[[2-[(2-chloro-1-oxoethyl)amino]-4-pyridinyl]methylthio]-N-(3-methylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-[(2-chloroacetyl)amino]pyridin-4-yl]methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-[(2-chloroacetyl)amino]-4-pyridyl]methylthio]-N-(m-tolyl)nicotinamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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)CCl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2S/c1-14-4-2-5-16(10-14)25-20(28)17-6-3-8-24-21(17)29-13-15-7-9-23-18(11-15)26-19(27)12-22/h2-11H,12-13H2,1H3,(H,25,28)(H,23,26,27)