(E)-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-acrylonitrile Formula: C20H17BrF3NO3S MolecularWeight: 488.31809

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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=CC(=C2)C(F)(F)F)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrF3NO3S/c1-19(2,3)16-8-12(9-17(21)18(16)26)7-15(11-25)29(27,28)14-6-4-5-13(10-14)20(22,23)24/h4-10,26H,1-3H3/b15-7+