2-(3-bromanyl-9-fluoranyl-benzo[b][1]benzothiepin-5-yl)sulfanyl-N,N-dimethyl-ethanamine

Systemtic Name: 2-(3-bromanyl-9-fluoranyl-benzo[b][1]benzothiepin-5-yl)sulfanyl-N,N-dimethyl-ethanamine Openeye Name: 2-(3-bromo-9-fluoro-benzo[b][1]benzothiepin-5-yl)sulfanyl-N,N-dimethyl-ethanamine CAS Name: 2-[(3-bromo-9-fluoro-5-benzo[b][1]benzothiepinyl)thio]-N,N-dimethylethanamine IUPAC Name: 2-(3-bromo-9-fluorobenzo[b][1]benzothiepin-5-yl)sulfanyl-N,N-dimethylethanamine Traditional Name: 2-[(3-bromo-9-fluoro-benzo[b][1]benzothiepin-5-yl)thio]ethyl-dimethyl-amine Formula: C18H17BrFNS2 MolecularWeight: 410.366683

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC2=C(C=C(C=C2)F)SC3=C1C=C(C=C3)Br

Isomeric SMILES

CN(C)CCSC1=CC2=C(C=C(C=C2)F)SC3=C1C=C(C=C3)Br

InChI

InChI=1S/C18H17BrFNS2/c1-21(2)7-8-22-18-9-12-3-5-14(20)11-17(12)23-16-6-4-13(19)10-15(16)18/h3-6,9-11H,7-8H2,1-2H3