N-ethyl-2-[2-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl]sulfanyl-ethanamine

Systemtic Name: N-ethyl-2-[2-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl]sulfanyl-ethanamine Openeye Name: N-ethyl-2-[2-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl]sulfanyl-ethanamine CAS Name: N-ethyl-2-[[2-(trifluoromethyl)-5-benzo[b][1]benzothiepinyl]thio]ethanamine IUPAC Name: N-ethyl-2-[2-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl]sulfanylethanamine Traditional Name: ethyl-[2-[[2-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl]thio]ethyl]amine Formula: C19H18F3NS2 MolecularWeight: 381.47813

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCSC1=CC2=CC=CC=C2SC3=C1C=CC(=C3)C(F)(F)F

Isomeric SMILES

CCNCCSC1=CC2=CC=CC=C2SC3=C1C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3NS2/c1-2-23-9-10-24-17-11-13-5-3-4-6-16(13)25-18-12-14(19(20,21)22)7-8-15(17)18/h3-8,11-12,23H,2,9-10H2,1H3