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

Systemtic Name: 2-(pyridin-3-ylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: 2-(3-pyridylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: 2-(3-pyridinylmethylthio)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: 2-(pyridin-3-ylmethylsulfanyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: 2-(3-pyridylmethylthio)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C24H20F3N3OS MolecularWeight: 455.49531

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=CC=CC=C2C=C1C(=O)NC3=CC=CC(=C3)C(F)(F)F)SCC4=CN=CC=C4

Isomeric SMILES

C1C(NC2=CC=CC=C2C=C1C(=O)NC3=CC=CC(=C3)C(F)(F)F)SCC4=CN=CC=C4

InChI

InChI=1S/C24H20F3N3OS/c25-24(26,27)19-7-3-8-20(13-19)29-23(31)18-11-17-6-1-2-9-21(17)30-22(12-18)32-15-16-5-4-10-28-14-16/h1-11,13-14,22,30H,12,15H2,(H,29,31)