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

Systemtic Name: 3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)-N,N-diethyl-prop-2-yn-1-amine Openeye Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)-N,N-diethyl-prop-2-yn-1-amine CAS Name: 3-(3-chloro-5-benzo[b][1]benzothiepinyl)-N,N-diethyl-2-propyn-1-amine IUPAC Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)-N,N-diethylprop-2-yn-1-amine Traditional Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-diethyl-amine Formula: C21H20ClNS MolecularWeight: 353.9082

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCN(CC)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNS/c1-3-23(4-2)13-7-9-16-14-17-8-5-6-10-20(17)24-21-12-11-18(22)15-19(16)21/h5-6,8,10-12,14-15H,3-4,13H2,1-2H3