2-(3-fluoranylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methyl-ethanamine

Systemtic Name: 2-(3-fluoranylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methyl-ethanamine Openeye Name: 2-(3-fluorobenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methyl-ethanamine CAS Name: 2-[(3-fluoro-5-benzo[b][1]benzoxepinyl)thio]-N-methylethanamine IUPAC Name: 2-(3-fluorobenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methylethanamine Traditional Name: 2-[(3-fluorobenzo[b][1]benzoxepin-5-yl)thio]ethyl-methyl-amine Formula: C17H16FNOS MolecularWeight: 301.378443

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Descriptors Computed from Structure

Canonical SMILES:

CNCCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)F

Isomeric SMILES

CNCCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)F

InChI

InChI=1S/C17H16FNOS/c1-19-8-9-21-17-10-12-4-2-3-5-15(12)20-16-7-6-13(18)11-14(16)17/h2-7,10-11,19H,8-9H2,1H3