5-ethanoyl-2-(2-oxidanylidenepropylsulfanyl)-4-phenyl-thiophene-3-carbonitrile

Systemtic Name: 5-ethanoyl-2-(2-oxidanylidenepropylsulfanyl)-4-phenyl-thiophene-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-5-acetyl-4-phenyl-thiophene-3-carbonitrile CAS Name: 5-acetyl-2-(2-oxopropylthio)-4-phenyl-3-thiophenecarbonitrile IUPAC Name: 5-acetyl-2-(2-oxopropylsulfanyl)-4-phenylthiophene-3-carbonitrile Traditional Name: 2-(acetonylthio)-5-acetyl-4-phenyl-thiophene-3-carbonitrile Formula: C16H13NO2S2 MolecularWeight: 315.40992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(C(=C(S1)C(=O)C)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(=O)CSC1=C(C(=C(S1)C(=O)C)C2=CC=CC=C2)C#N

InChI

InChI=1S/C16H13NO2S2/c1-10(18)9-20-16-13(8-17)14(15(21-16)11(2)19)12-6-4-3-5-7-12/h3-7H,9H2,1-2H3