6-(2-methylsulfanylphenyl)hex-5-ynenitrile

Systemtic Name: 6-(2-methylsulfanylphenyl)hex-5-ynenitrile Openeye Name: 6-(2-methylsulfanylphenyl)hex-5-ynenitrile CAS Name: 6-[2-(methylthio)phenyl]-5-hexynenitrile IUPAC Name: 6-(2-methylsulfanylphenyl)hex-5-ynenitrile Traditional Name: 6-[2-(methylthio)phenyl]hex-5-ynenitrile Formula: C13H13NS MolecularWeight: 215.31402

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C#CCCCC#N

Isomeric SMILES

CSC1=CC=CC=C1C#CCCCC#N

InChI

InChI=1S/C13H13NS/c1-15-13-10-6-5-9-12(13)8-4-2-3-7-11-14/h5-6,9-10H,2-3,7H2,1H3