(E)-3-(2,5-dimethylphenyl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2,5-dimethylphenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(2,5-dimethylphenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(2,5-dimethylphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(2,5-dimethylphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(2,5-dimethylphenyl)-2-mesyl-acrylonitrile Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C=C(\C#N)/S(=O)(=O)C

InChI

InChI=1S/C12H13NO2S/c1-9-4-5-10(2)11(6-9)7-12(8-13)16(3,14)15/h4-7H,1-3H3/b12-7+