1-[2-[2-(trifluoromethyl)phenyl]sulfanylphenyl]-1,4-diazepane

Systemtic Name: 1-[2-[2-(trifluoromethyl)phenyl]sulfanylphenyl]-1,4-diazepane Openeye Name: 1-[2-[2-(trifluoromethyl)phenyl]sulfanylphenyl]-1,4-diazepane CAS Name: 1-[2-[[2-(trifluoromethyl)phenyl]thio]phenyl]-1,4-diazepane IUPAC Name: 1-[2-[2-(trifluoromethyl)phenyl]sulfanylphenyl]-1,4-diazepane Traditional Name: 1-[2-[[2-(trifluoromethyl)phenyl]thio]phenyl]-1,4-diazepane Formula: C18H19F3N2S MolecularWeight: 352.41707

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC=CC=C2SC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C2=CC=CC=C2SC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H19F3N2S/c19-18(20,21)14-6-1-3-8-16(14)24-17-9-4-2-7-15(17)23-12-5-10-22-11-13-23/h1-4,6-9,22H,5,10-13H2