(2E)-2-[(5-bromanylthiophen-2-yl)-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-[(5-bromanylthiophen-2-yl)-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[(5-bromo-2-thienyl)-hydroxy-methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[(5-bromo-2-thiophenyl)-hydroxymethylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[(5-bromothiophen-2-yl)-hydroxymethylidene]-3-oxobutanenitrile Traditional Name: (E)-2-acetyl-3-(5-bromo-2-thienyl)-3-hydroxy-acrylonitrile Formula: C9H6BrNO2S MolecularWeight: 272.11844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(C1=CC=C(S1)Br)O)C#N

Isomeric SMILES

CC(=O)/C(=C(\C1=CC=C(S1)Br)/O)/C#N

InChI

InChI=1S/C9H6BrNO2S/c1-5(12)6(4-11)9(13)7-2-3-8(10)14-7/h2-3,13H,1H3/b9-6+