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

Systemtic Name: (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-2-(4-fluorophenyl)sulfonyl-3-(4-hydroxy-3,5-dimethyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-(4-fluorophenyl)sulfonyl-3-(4-hydroxy-3,5-dimethylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-fluorophenyl)sulfonyl-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-fluorophenyl)sulfonyl-3-(4-hydroxy-3,5-dimethyl-phenyl)acrylonitrile Formula: C17H14FNO3S MolecularWeight: 331.361363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FNO3S/c1-11-7-13(8-12(2)17(11)20)9-16(10-19)23(21,22)15-5-3-14(18)4-6-15/h3-9,20H,1-2H3/b16-9+