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

Systemtic Name: 2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]-N,N-diethyl-ethanamine Openeye Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]-N,N-diethyl-ethanamine CAS Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)thio]-N,N-diethylethanamine IUPAC Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]-N,N-diethylethanamine Traditional Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)thio]ethyl-diethyl-amine Formula: C20H24ClNOS MolecularWeight: 361.92866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCN(CC)CCSC1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C20H24ClNOS/c1-3-22(4-2)11-12-24-20-13-15-7-5-6-8-18(15)23-19-10-9-16(21)14-17(19)20/h5-10,14,20H,3-4,11-13H2,1-2H3