N,N-dimethyl-3-(3-methylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine

Systemtic Name: N,N-dimethyl-3-(3-methylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Openeye Name: N,N-dimethyl-3-(3-methylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine CAS Name: N,N-dimethyl-3-(3-methyl-5-benzo[b][1]benzothiepinyl)-2-propyn-1-amine IUPAC Name: N,N-dimethyl-3-(3-methylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Traditional Name: dimethyl-[3-(3-methylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]amine Formula: C20H19NS MolecularWeight: 305.43656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#CCN(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#CCN(C)C

InChI

InChI=1S/C20H19NS/c1-15-10-11-20-18(13-15)16(8-6-12-21(2)3)14-17-7-4-5-9-19(17)22-20/h4-5,7,9-11,13-14H,12H2,1-3H3