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

Systemtic Name: (E)-3-(3-tert-butyl-4-oxidanyl-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-tert-butyl-4-hydroxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-tert-butyl-4-hydroxyphenyl)-2-(4-fluorophenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-tert-butyl-4-hydroxyphenyl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-tert-butyl-4-hydroxy-phenyl)-2-(4-fluorophenyl)sulfonyl-acrylonitrile Formula: C19H18FNO3S MolecularWeight: 359.414523

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18FNO3S/c1-19(2,3)17-11-13(4-9-18(17)22)10-16(12-21)25(23,24)15-7-5-14(20)6-8-15/h4-11,22H,1-3H3/b16-10+