3-(3-fluoranyl-8-methyl-benzo[b][1]benzothiepin-5-yl)-N,N-dimethyl-prop-2-yn-1-amine

Systemtic Name: 3-(3-fluoranyl-8-methyl-benzo[b][1]benzothiepin-5-yl)-N,N-dimethyl-prop-2-yn-1-amine Openeye Name: 3-(3-fluoro-8-methyl-benzo[b][1]benzothiepin-5-yl)-N,N-dimethyl-prop-2-yn-1-amine CAS Name: 3-(3-fluoro-8-methyl-5-benzo[b][1]benzothiepinyl)-N,N-dimethyl-2-propyn-1-amine IUPAC Name: 3-(3-fluoro-8-methylbenzo[b][1]benzothiepin-5-yl)-N,N-dimethylprop-2-yn-1-amine Traditional Name: 3-(3-fluoro-8-methyl-benzo[b][1]benzothiepin-5-yl)prop-2-ynyl-dimethyl-amine Formula: C20H18FNS MolecularWeight: 323.427023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)F)C(=C2)C#CCN(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)F)C(=C2)C#CCN(C)C

InChI

InChI=1S/C20H18FNS/c1-14-6-8-19-16(11-14)12-15(5-4-10-22(2)3)18-13-17(21)7-9-20(18)23-19/h6-9,11-13H,10H2,1-3H3