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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C=C1C(=O)NC3=C(N=CC=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1CNC2=CC=CC=C2C=C1C(=O)NC3=C(N=CC=C3)SCC4=CN=CC=C4

InChI

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