2-(1,3-dithian-2-ylidene)-2-(4-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-(1,3-dithian-2-ylidene)-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-(1,3-dithian-2-ylidene)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(1,3-dithian-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-(1,3-dithian-2-ylidene)-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-(1,3-dithian-2-ylidene)-2-tosyl-acetonitrile Formula: C13H13NO2S3 MolecularWeight: 311.44282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=C2SCCCS2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=C2SCCCS2)C#N

InChI

InChI=1S/C13H13NO2S3/c1-10-3-5-11(6-4-10)19(15,16)12(9-14)13-17-7-2-8-18-13/h3-6H,2,7-8H2,1H3