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

Systemtic Name: (E)-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-2-thiophen-3-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-(3-thienylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-(3-thiophenylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-thiophen-3-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-(3-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=CSC=C2)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO3S2/c1-17(2,3)14-7-11(8-15(18)16(14)20)6-13(9-19)24(21,22)12-4-5-23-10-12/h4-8,10,20H,1-3H3/b13-6+