3-butylsulfanyl-2-phenyl-propanenitrile

Systemtic Name: 3-butylsulfanyl-2-phenyl-propanenitrile Openeye Name: 3-butylsulfanyl-2-phenyl-propanenitrile CAS Name: 3-(butylthio)-2-phenylpropanenitrile IUPAC Name: 3-butylsulfanyl-2-phenylpropanenitrile Traditional Name: 3-(butylthio)-2-phenyl-propionitrile Formula: C13H17NS MolecularWeight: 219.34578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(C#N)C1=CC=CC=C1

Isomeric SMILES

CCCCSCC(C#N)C1=CC=CC=C1

InChI

InChI=1S/C13H17NS/c1-2-3-9-15-11-13(10-14)12-7-5-4-6-8-12/h4-8,13H,2-3,9,11H2,1H3