N-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)but-3-yn-2-amine

Systemtic Name: N-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)but-3-yn-2-amine Openeye Name: N-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)but-3-yn-2-amine CAS Name: N-[2-(5-benzo[b][1]benzoxepinylthio)ethyl]-3-butyn-2-amine IUPAC Name: N-(2-benzo[b][1]benzoxepin-5-ylsulfanylethyl)but-3-yn-2-amine Traditional Name: 2-(benzo[b][1]benzoxepin-5-ylthio)ethyl-(1-methylprop-2-ynyl)amine Formula: C20H19NOS MolecularWeight: 321.43596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NCCSC1=CC2=CC=CC=C2OC3=CC=CC=C31

Isomeric SMILES

CC(C#C)NCCSC1=CC2=CC=CC=C2OC3=CC=CC=C31

InChI

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