(E)-2-(cyanomethylsulfonyl)-3-(3,5-dimethyl-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(cyanomethylsulfonyl)-3-(3,5-dimethyl-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(cyanomethylsulfonyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-(cyanomethylsulfonyl)-3-(4-hydroxy-3,5-dimethylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(cyanomethylsulfonyl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(cyanomethylsulfonyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)acrylonitrile Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C(C#N)S(=O)(=O)CC#N

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C(\C#N)/S(=O)(=O)CC#N

InChI

InChI=1S/C13H12N2O3S/c1-9-5-11(6-10(2)13(9)16)7-12(8-15)19(17,18)4-3-14/h5-7,16H,4H2,1-2H3/b12-7+