N,N-dimethyl-3-(3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)prop-1-yn-1-amine

Systemtic Name: N,N-dimethyl-3-(3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)prop-1-yn-1-amine Openeye Name: N,N-dimethyl-3-(3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)prop-1-yn-1-amine CAS Name: N,N-dimethyl-3-[3-(methylthio)-5-benzo[b][1]benzothiepinyl]-1-propyn-1-amine IUPAC Name: N,N-dimethyl-3-(3-methylsulfanylbenzo[b][1]benzothiepin-5-yl)prop-1-yn-1-amine Traditional Name: dimethyl-[3-[3-(methylthio)benzo[b][1]benzothiepin-5-yl]prop-1-ynyl]amine Formula: C20H19NS2 MolecularWeight: 337.50156

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C#CCC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)SC

Isomeric SMILES

CN(C)C#CCC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)SC

InChI

InChI=1S/C20H19NS2/c1-21(2)12-6-8-15-13-16-7-4-5-9-19(16)23-20-11-10-17(22-3)14-18(15)20/h4-5,7,9-11,13-14H,8H2,1-3H3