(E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(1-methylimidazol-2-yl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(1-methylimidazol-2-yl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(1-methylimidazol-2-yl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(1-methyl-2-imidazolyl)sulfonyl]-2-propenenitrile IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(1-methylimidazol-2-yl)sulfonyl-acrylonitrile Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)S(=O)(=O)C2=NC=CN2C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)C2=NC=CN2C

InChI

InChI=1S/C21H27N3O3S/c1-20(2,3)16-11-14(12-17(18(16)25)21(4,5)6)10-15(13-22)28(26,27)19-23-8-9-24(19)7/h8-12,25H,1-7H3/b15-10+