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

Systemtic Name: (E)-3-(3-tert-butyl-4-oxidanyl-phenyl)-2-(cyanomethylsulfonyl)prop-2-enenitrile Openeye Name: (E)-3-(3-tert-butyl-4-hydroxy-phenyl)-2-(cyanomethylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-tert-butyl-4-hydroxyphenyl)-2-(cyanomethylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(3-tert-butyl-4-hydroxyphenyl)-2-(cyanomethylsulfonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-tert-butyl-4-hydroxy-phenyl)-2-(cyanomethylsulfonyl)acrylonitrile Formula: C15H16N2O3S MolecularWeight: 304.36414

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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)CC#N)O

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S/c1-15(2,3)13-9-11(4-5-14(13)18)8-12(10-17)21(19,20)7-6-16/h4-5,8-9,18H,7H2,1-3H3/b12-8+