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

Systemtic Name: (E)-3-(3-tert-butyl-4-oxidanyl-phenyl)-2-pyridin-2-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-tert-butyl-4-hydroxy-phenyl)-2-(2-pyridylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-tert-butyl-4-hydroxyphenyl)-2-(2-pyridinylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(3-tert-butyl-4-hydroxyphenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-tert-butyl-4-hydroxy-phenyl)-2-(2-pyridylsulfonyl)acrylonitrile Formula: C18H18N2O3S MolecularWeight: 342.41212

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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=N2)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=N2)O

InChI

InChI=1S/C18H18N2O3S/c1-18(2,3)15-11-13(7-8-16(15)21)10-14(12-19)24(22,23)17-6-4-5-9-20-17/h4-11,21H,1-3H3/b14-10+