4-(2-tert-butylsulfanylethanoyl)benzenecarbonitrile

Systemtic Name: 4-(2-tert-butylsulfanylethanoyl)benzenecarbonitrile Openeye Name: 4-(2-tert-butylsulfanylacetyl)benzonitrile CAS Name: 4-[2-(tert-butylthio)-1-oxoethyl]benzonitrile IUPAC Name: 4-(2-tert-butylsulfanylacetyl)benzonitrile Traditional Name: 4-[2-(tert-butylthio)acetyl]benzonitrile Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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