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

Systemtic Name: (E)-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-2-thiophen-2-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-(2-thienylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-thiophen-2-ylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-thiophen-2-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-(2-thienylsulfonyl)acrylonitrile Formula: C17H16BrNO3S2 MolecularWeight: 426.34784

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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=CS2)Br)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=CS2)Br)O

InChI

InChI=1S/C17H16BrNO3S2/c1-17(2,3)13-8-11(9-14(18)16(13)20)7-12(10-19)24(21,22)15-5-4-6-23-15/h4-9,20H,1-3H3/b12-7+