2-[3,4-bis(methylsulfanyl)phenyl]ethanenitrile

Systemtic Name: 2-[3,4-bis(methylsulfanyl)phenyl]ethanenitrile Openeye Name: 2-[3,4-bis(methylsulfanyl)phenyl]acetonitrile CAS Name: 2-[3,4-bis(methylthio)phenyl]acetonitrile IUPAC Name: 2-[3,4-bis(methylsulfanyl)phenyl]acetonitrile Traditional Name: 2-[3,4-bis(methylthio)phenyl]acetonitrile Formula: C10H11NS2 MolecularWeight: 209.33104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)CC#N)SC

Isomeric SMILES

CSC1=C(C=C(C=C1)CC#N)SC

InChI

InChI=1S/C10H11NS2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3