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

Systemtic Name: (E)-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-(4-fluorophenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-(4-fluorophenyl)sulfonyl-acrylonitrile Formula: C19H17BrFNO3S MolecularWeight: 438.310583

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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)F)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrFNO3S/c1-19(2,3)16-9-12(10-17(20)18(16)23)8-15(11-22)26(24,25)14-6-4-13(21)5-7-14/h4-10,23H,1-3H3/b15-8+