N-[2-(pyridin-2-ylmethylsulfanyl)pyridin-3-yl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-[2-(pyridin-2-ylmethylsulfanyl)pyridin-3-yl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[2-(2-pyridylmethylsulfanyl)-3-pyridyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[2-(2-pyridinylmethylthio)-3-pyridinyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[2-(pyridin-2-ylmethylsulfanyl)pyridin-3-yl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[2-(2-pyridylmethylthio)-3-pyridyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C22H20N4OS MolecularWeight: 388.4854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C=C1C(=O)NC3=C(N=CC=C3)SCC4=CC=CC=N4

Isomeric SMILES

C1CNC2=CC=CC=C2C=C1C(=O)NC3=C(N=CC=C3)SCC4=CC=CC=N4

InChI

InChI=1S/C22H20N4OS/c27-21(17-10-13-24-19-8-2-1-6-16(19)14-17)26-20-9-5-12-25-22(20)28-15-18-7-3-4-11-23-18/h1-9,11-12,14,24H,10,13,15H2,(H,26,27)