(E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-acrylonitrile Formula: C18H14F3NO3S MolecularWeight: 381.36887

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3NO3S/c1-11-7-13(8-12(2)17(11)23)9-16(10-22)26(24,25)15-5-3-14(4-6-15)18(19,20)21/h3-9,23H,1-2H3/b16-9+