2-(4-methylphenyl)sulfonyl-2-thiophen-3-yl-ethanenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-2-thiophen-3-yl-ethanenitrile Openeye Name: 2-(p-tolylsulfonyl)-2-(3-thienyl)acetonitrile CAS Name: 2-(4-methylphenyl)sulfonyl-2-(3-thiophenyl)acetonitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetonitrile Traditional Name: 2-(3-thienyl)-2-tosyl-acetonitrile Formula: C13H11NO2S2 MolecularWeight: 277.36194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=CSC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=CSC=C2

InChI

InChI=1S/C13H11NO2S2/c1-10-2-4-12(5-3-10)18(15,16)13(8-14)11-6-7-17-9-11/h2-7,9,13H,1H3