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

Systemtic Name: 2-[(3-fluoranyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]-N-methyl-ethanamine Openeye Name: 2-[(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]-N-methyl-ethanamine CAS Name: 2-[(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)thio]-N-methylethanamine IUPAC Name: 2-[(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]-N-methylethanamine Traditional Name: 2-[(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)thio]ethyl-methyl-amine Formula: C17H18FNOS MolecularWeight: 303.394323

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Descriptors Computed from Structure

Canonical SMILES:

CNCCSC1CC2=CC=CC=C2OC3=C1C=C(C=C3)F

Isomeric SMILES

CNCCSC1CC2=CC=CC=C2OC3=C1C=C(C=C3)F

InChI

InChI=1S/C17H18FNOS/c1-19-8-9-21-17-10-12-4-2-3-5-15(12)20-16-7-6-13(18)11-14(16)17/h2-7,11,17,19H,8-10H2,1H3