(E)-3-(3-tert-butyl-4-oxidanyl-phenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-tert-butyl-4-oxidanyl-phenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-tert-butyl-4-hydroxy-phenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-tert-butyl-4-hydroxyphenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-tert-butyl-4-hydroxyphenyl)-2-[4-(trifluoromethyl)phenyl]sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-tert-butyl-4-hydroxy-phenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-acrylonitrile Formula: C20H18F3NO3S MolecularWeight: 409.42203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)O

InChI

InChI=1S/C20H18F3NO3S/c1-19(2,3)17-11-13(4-9-18(17)25)10-16(12-24)28(26,27)15-7-5-14(6-8-15)20(21,22)23/h4-11,25H,1-3H3/b16-10+