3-(3-chloranyl-8-methylsulfanyl-benzo[b][1]benzothiepin-6-yl)-N,N-dimethyl-prop-2-yn-1-amine

Systemtic Name: 3-(3-chloranyl-8-methylsulfanyl-benzo[b][1]benzothiepin-6-yl)-N,N-dimethyl-prop-2-yn-1-amine Openeye Name: 3-(3-chloro-8-methylsulfanyl-benzo[b][1]benzothiepin-6-yl)-N,N-dimethyl-prop-2-yn-1-amine CAS Name: 3-[3-chloro-8-(methylthio)-6-benzo[b][1]benzothiepinyl]-N,N-dimethyl-2-propyn-1-amine IUPAC Name: 3-(3-chloro-8-methylsulfanylbenzo[b][1]benzothiepin-6-yl)-N,N-dimethylprop-2-yn-1-amine Traditional Name: 3-[3-chloro-8-(methylthio)benzo[b][1]benzothiepin-6-yl]prop-2-ynyl-dimethyl-amine Formula: C20H18ClNS2 MolecularWeight: 371.94662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=CC2=C(C=CC(=C2)Cl)SC3=C1C=C(C=C3)SC

Isomeric SMILES

CN(C)CC#CC1=CC2=C(C=CC(=C2)Cl)SC3=C1C=C(C=C3)SC

InChI

InChI=1S/C20H18ClNS2/c1-22(2)10-4-5-14-11-15-12-16(21)6-8-19(15)24-20-9-7-17(23-3)13-18(14)20/h6-9,11-13H,10H2,1-3H3