5-ethanoyl-2-methylsulfanyl-4-oxidanyl-thiophene-3-carbonitrile

Systemtic Name: 5-ethanoyl-2-methylsulfanyl-4-oxidanyl-thiophene-3-carbonitrile Openeye Name: 5-acetyl-4-hydroxy-2-methylsulfanyl-thiophene-3-carbonitrile CAS Name: 5-acetyl-4-hydroxy-2-(methylthio)-3-thiophenecarbonitrile IUPAC Name: 5-acetyl-4-hydroxy-2-methylsulfanylthiophene-3-carbonitrile Traditional Name: 5-acetyl-4-hydroxy-2-(methylthio)thiophene-3-carbonitrile Formula: C8H7NO2S2 MolecularWeight: 213.27668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO2S2/c1-4(10)7-6(11)5(3-9)8(12-2)13-7/h11H,1-2H3