3-(2-methylsulfanylphenyl)pentanedinitrile

Systemtic Name: 3-(2-methylsulfanylphenyl)pentanedinitrile Openeye Name: 3-(2-methylsulfanylphenyl)pentanedinitrile CAS Name: 3-[2-(methylthio)phenyl]pentanedinitrile IUPAC Name: 3-(2-methylsulfanylphenyl)pentanedinitrile Traditional Name: 3-[2-(methylthio)phenyl]glutaronitrile Formula: C12H12N2S MolecularWeight: 216.30208

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(CC#N)CC#N

Isomeric SMILES

CSC1=CC=CC=C1C(CC#N)CC#N

InChI

InChI=1S/C12H12N2S/c1-15-12-5-3-2-4-11(12)10(6-8-13)7-9-14/h2-5,10H,6-7H2,1H3