2-[(3-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-methyl-ethanamine

Systemtic Name: 2-[(3-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-methyl-ethanamine Openeye Name: 2-[(3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-methyl-ethanamine CAS Name: 2-[(3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]-N-methylethanamine IUPAC Name: 2-[(3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-methylethanamine Traditional Name: 2-[(3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]ethyl-methyl-amine Formula: C17H18FNS2 MolecularWeight: 319.459923

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Descriptors Computed from Structure

Canonical SMILES:

CNCCSC1CC2=C(C=CC(=C2)F)SC3=CC=CC=C13

Isomeric SMILES

CNCCSC1CC2=C(C=CC(=C2)F)SC3=CC=CC=C13

InChI

InChI=1S/C17H18FNS2/c1-19-8-9-20-17-11-12-10-13(18)6-7-15(12)21-16-5-3-2-4-14(16)17/h2-7,10,17,19H,8-9,11H2,1H3