3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)-N-ethyl-N-methyl-prop-2-yn-1-amine

Systemtic Name: 3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)-N-ethyl-N-methyl-prop-2-yn-1-amine Openeye Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)-N-ethyl-N-methyl-prop-2-yn-1-amine CAS Name: 3-(3-chloro-5-benzo[b][1]benzothiepinyl)-N-ethyl-N-methyl-2-propyn-1-amine IUPAC Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)-N-ethyl-N-methylprop-2-yn-1-amine Traditional Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-ethyl-methyl-amine Formula: C20H18ClNS MolecularWeight: 339.88162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCN(C)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C20H18ClNS/c1-3-22(2)12-6-8-15-13-16-7-4-5-9-19(16)23-20-11-10-17(21)14-18(15)20/h4-5,7,9-11,13-14H,3,12H2,1-2H3