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

Systemtic Name: N,N-dimethyl-3-(3-nitrobenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Openeye Name: N,N-dimethyl-3-(3-nitrobenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine CAS Name: N,N-dimethyl-3-(3-nitro-5-benzo[b][1]benzothiepinyl)-2-propyn-1-amine IUPAC Name: N,N-dimethyl-3-(3-nitrobenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Traditional Name: dimethyl-[3-(3-nitrobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl]amine Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O2S/c1-20(2)11-5-7-14-12-15-6-3-4-8-18(15)24-19-10-9-16(21(22)23)13-17(14)19/h3-4,6,8-10,12-13H,11H2,1-2H3