5-ethynyl-N,N-dimethyl-benzo[b][1]benzothiepin-3-amine

Systemtic Name: 5-ethynyl-N,N-dimethyl-benzo[b][1]benzothiepin-3-amine Openeye Name: 5-ethynyl-N,N-dimethyl-benzo[b][1]benzothiepin-3-amine CAS Name: 5-ethynyl-N,N-dimethyl-3-benzo[b][1]benzothiepinamine IUPAC Name: 5-ethynyl-N,N-dimethylbenzo[b][1]benzothiepin-3-amine Traditional Name: (5-ethynylbenzo[b][1]benzothiepin-3-yl)-dimethyl-amine Formula: C18H15NS MolecularWeight: 277.3834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#C

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#C

InChI

InChI=1S/C18H15NS/c1-4-13-11-14-7-5-6-8-17(14)20-18-10-9-15(19(2)3)12-16(13)18/h1,5-12H,2-3H3