2-(3-fluoranylbenzo[b][1]benzothiepin-5-yl)sulfanyl-N,N-dimethyl-ethanamine

Systemtic Name: 2-(3-fluoranylbenzo[b][1]benzothiepin-5-yl)sulfanyl-N,N-dimethyl-ethanamine Openeye Name: 2-(3-fluorobenzo[b][1]benzothiepin-5-yl)sulfanyl-N,N-dimethyl-ethanamine CAS Name: 2-[(3-fluoro-5-benzo[b][1]benzothiepinyl)thio]-N,N-dimethylethanamine IUPAC Name: 2-(3-fluorobenzo[b][1]benzothiepin-5-yl)sulfanyl-N,N-dimethylethanamine Traditional Name: 2-[(3-fluorobenzo[b][1]benzothiepin-5-yl)thio]ethyl-dimethyl-amine Formula: C18H18FNS2 MolecularWeight: 331.470623

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)F

Isomeric SMILES

CN(C)CCSC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)F

InChI

InChI=1S/C18H18FNS2/c1-20(2)9-10-21-18-11-13-5-3-4-6-16(13)22-17-8-7-14(19)12-15(17)18/h3-8,11-12H,9-10H2,1-2H3