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

Systemtic Name: (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-(4-hydroxy-3,5-dimethylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile Traditional Name: (E)-2-besyl-3-(4-hydroxy-3,5-dimethyl-phenyl)acrylonitrile Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15NO3S/c1-12-8-14(9-13(2)17(12)19)10-16(11-18)22(20,21)15-6-4-3-5-7-15/h3-10,19H,1-2H3/b16-10+