2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)sulfanylethyl-methyl-cyanamide

Systemtic Name: 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)sulfanylethyl-methyl-cyanamide Openeye Name: 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)sulfanylethyl-methyl-cyanamide CAS Name: 2-[(3-chloro-5-benzo[b][1]benzothiepinyl)thio]ethyl-methylcyanamide IUPAC Name: 2-(3-chlorobenzo[b][1]benzothiepin-5-yl)sulfanylethyl-methylcyanamide Traditional Name: 2-[(3-chlorobenzo[b][1]benzothiepin-5-yl)thio]ethyl-methyl-cyanamide Formula: C18H15ClN2S2 MolecularWeight: 358.9081

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C#N

Isomeric SMILES

CN(CCSC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C#N

InChI

InChI=1S/C18H15ClN2S2/c1-21(12-20)8-9-22-18-10-13-4-2-3-5-16(13)23-17-7-6-14(19)11-15(17)18/h2-7,10-11H,8-9H2,1H3