4-[2-(2-methylpropylsulfanyl)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(2-methylpropylsulfanyl)ethanoyl]benzenecarbonitrile Openeye Name: 4-(2-isobutylsulfanylacetyl)benzonitrile CAS Name: 4-[2-(2-methylpropylthio)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(2-methylpropylsulfanyl)acetyl]benzonitrile Traditional Name: 4-[2-(isobutylthio)acetyl]benzonitrile Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)CSCC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H15NOS/c1-10(2)8-16-9-13(15)12-5-3-11(7-14)4-6-12/h3-6,10H,8-9H2,1-2H3