2-(2-chloranylbenzo[b][1]benzothiepin-5-yl)sulfanyl-N-ethyl-N-methyl-ethanamine

Systemtic Name: 2-(2-chloranylbenzo[b][1]benzothiepin-5-yl)sulfanyl-N-ethyl-N-methyl-ethanamine Openeye Name: 2-(2-chlorobenzo[b][1]benzothiepin-5-yl)sulfanyl-N-ethyl-N-methyl-ethanamine CAS Name: 2-[(2-chloro-5-benzo[b][1]benzothiepinyl)thio]-N-ethyl-N-methylethanamine IUPAC Name: 2-(2-chlorobenzo[b][1]benzothiepin-5-yl)sulfanyl-N-ethyl-N-methylethanamine Traditional Name: 2-[(2-chlorobenzo[b][1]benzothiepin-5-yl)thio]ethyl-ethyl-methyl-amine Formula: C19H20ClNS2 MolecularWeight: 361.9518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CCSC1=CC2=CC=CC=C2SC3=C1C=CC(=C3)Cl

Isomeric SMILES

CCN(C)CCSC1=CC2=CC=CC=C2SC3=C1C=CC(=C3)Cl

InChI

InChI=1S/C19H20ClNS2/c1-3-21(2)10-11-22-18-12-14-6-4-5-7-17(14)23-19-13-15(20)8-9-16(18)19/h4-9,12-13H,3,10-11H2,1-2H3