(E)-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-2-pyridin-2-ylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-2-pyridin-2-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-(2-pyridylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-(2-pyridinylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-(2-pyridylsulfonyl)acrylonitrile Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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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)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O3S/c1-18(2,3)14-9-12(10-15(19)17(14)22)8-13(11-20)25(23,24)16-6-4-5-7-21-16/h4-10,22H,1-3H3/b13-8+