(E)-3-(4-ethylphenyl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-ethylphenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-ethylphenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(4-ethylphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(4-ethylphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-ethylphenyl)-2-mesyl-acrylonitrile Formula: C12H13NO2S MolecularWeight: 235.30212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C(C#N)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C(\C#N)/S(=O)(=O)C

InChI

InChI=1S/C12H13NO2S/c1-3-10-4-6-11(7-5-10)8-12(9-13)16(2,14)15/h4-8H,3H2,1-2H3/b12-8+