2-[[4-(cyanomethylsulfanylmethyl)phenyl]methylsulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(cyanomethylsulfanylmethyl)phenyl]methylsulfanyl]ethanenitrile Openeye Name: 2-[[4-(cyanomethylsulfanylmethyl)phenyl]methylsulfanyl]acetonitrile CAS Name: 2-[[4-[(cyanomethylthio)methyl]phenyl]methylthio]acetonitrile IUPAC Name: 2-[[4-(cyanomethylsulfanylmethyl)phenyl]methylsulfanyl]acetonitrile Traditional Name: 2-[[4-[(cyanomethylthio)methyl]benzyl]thio]acetonitrile Formula: C12H12N2S2 MolecularWeight: 248.36708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC#N)CSCC#N

Isomeric SMILES

C1=CC(=CC=C1CSCC#N)CSCC#N

InChI

InChI=1S/C12H12N2S2/c13-5-7-15-9-11-1-2-12(4-3-11)10-16-8-6-14/h1-4H,7-10H2