N-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)-N-methyl-prop-2-yn-1-amine

Systemtic Name: N-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)-N-methyl-prop-2-yn-1-amine Openeye Name: N-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)-N-methyl-prop-2-yn-1-amine CAS Name: N-[2-(5-benzo[b][1]benzoxepinylthio)ethyl]-N-methyl-2-propyn-1-amine IUPAC Name: N-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)-N-methylprop-2-yn-1-amine Traditional Name: 2-(benzo[b][1]benzoxepin-5-ylthio)ethyl-methyl-propargyl-amine Formula: C20H19NOS MolecularWeight: 321.43596

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1=CC2=CC=CC=C2OC3=CC=CC=C31)CC#C

Isomeric SMILES

CN(CCSC1=CC2=CC=CC=C2OC3=CC=CC=C31)CC#C

InChI

InChI=1S/C20H19NOS/c1-3-12-21(2)13-14-23-20-15-16-8-4-6-10-18(16)22-19-11-7-5-9-17(19)20/h1,4-11,15H,12-14H2,2H3