4-(2-butan-2-ylsulfanylethanoyl)benzenecarbonitrile

Systemtic Name: 4-(2-butan-2-ylsulfanylethanoyl)benzenecarbonitrile Openeye Name: 4-(2-sec-butylsulfanylacetyl)benzonitrile CAS Name: 4-[2-(butan-2-ylthio)-1-oxoethyl]benzonitrile IUPAC Name: 4-(2-butan-2-ylsulfanylacetyl)benzonitrile Traditional Name: 4-[2-(sec-butylthio)acetyl]benzonitrile Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCC(C)SCC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H15NOS/c1-3-10(2)16-9-13(15)12-6-4-11(8-14)5-7-12/h4-7,10H,3,9H2,1-2H3