(E)-3-[3,4-bis(oxidanyl)phenyl]-2-(4-bromanylthiophen-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[3,4-bis(oxidanyl)phenyl]-2-(4-bromanylthiophen-2-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-bromo-2-thienyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(4-bromo-2-thiophenyl)-3-(3,4-dihydroxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-bromothiophen-2-yl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-bromo-2-thienyl)-3-(3,4-dihydroxyphenyl)acrylonitrile Formula: C13H8BrNO2S MolecularWeight: 322.17712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C(C#N)C2=CC(=CS2)Br)O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H8BrNO2S/c14-10-5-13(18-7-10)9(6-15)3-8-1-2-11(16)12(17)4-8/h1-5,7,16-17H/b9-3+