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2-(phenylmethylsulfanyl)butanenitrile

2-(phenylmethylsulfanyl)butanenitrile

Systemtic Name:2-(phenylmethylsulfanyl)butanenitrile
Openeye Name:2-benzylsulfanylbutanenitrile
CAS Name:2-(phenylmethylthio)butanenitrile
IUPAC Name:2-benzylsulfanylbutanenitrile
Traditional Name:2-(benzylthio)butyronitrile
Formula: C11H13NS
MolecularWeight: 191.29262
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)SCC1=CC=CC=C1


Isomeric SMILES

CCC(C#N)SCC1=CC=CC=C1


InChI

InChI=1S/C11H13NS/c1-2-11(8-12)13-9-10-6-4-3-5-7-10/h3-7,11H,2,9H2,1H3


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