1-[1-(3-fluorophenyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indol-2-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[1-(3-fluorophenyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indol-2-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-[1-(3-fluorophenyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[1-(3-fluorophenyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[1-(3-fluorophenyl)-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indol-2-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-[1-(3-fluorophenyl)-3,4,5,10-tetrahydro-1H-azepin[3,4-b]indol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethanone Formula: C26H21F4N3OS MolecularWeight: 499.523053

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(N(C1)C(=O)CSC3=NC=C(C=C3)C(F)(F)F)C4=CC(=CC=C4)F)NC5=CC=CC=C25

Isomeric SMILES

C1CC2=C(C(N(C1)C(=O)CSC3=NC=C(C=C3)C(F)(F)F)C4=CC(=CC=C4)F)NC5=CC=CC=C25

InChI

InChI=1S/C26H21F4N3OS/c27-18-6-3-5-16(13-18)25-24-20(19-7-1-2-9-21(19)32-24)8-4-12-33(25)23(34)15-35-22-11-10-17(14-31-22)26(28,29)30/h1-3,5-7,9-11,13-14,25,32H,4,8,12,15H2