2-butylsulfinyl-5-(phenylcarbonyl)thiophene-3-carbonitrile

Systemtic Name: 2-butylsulfinyl-5-(phenylcarbonyl)thiophene-3-carbonitrile Openeye Name: 5-benzoyl-2-butylsulfinyl-thiophene-3-carbonitrile CAS Name: 5-benzoyl-2-butylsulfinyl-3-thiophenecarbonitrile IUPAC Name: 5-benzoyl-2-butylsulfinylthiophene-3-carbonitrile Traditional Name: 5-benzoyl-2-butylsulfinyl-thiophene-3-carbonitrile Formula: C16H15NO2S2 MolecularWeight: 317.4258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)C1=C(C=C(S1)C(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCCS(=O)C1=C(C=C(S1)C(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C16H15NO2S2/c1-2-3-9-21(19)16-13(11-17)10-14(20-16)15(18)12-7-5-4-6-8-12/h4-8,10H,2-3,9H2,1H3