2-[(2,4-dimethylphenyl)methylsulfanylcarbothioylsulfanyl]ethanenitrile

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanylcarbothioylsulfanyl]ethanenitrile Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanylcarbothioylsulfanyl]acetonitrile CAS Name: 2-[[[(2,4-dimethylphenyl)methylthio]-sulfanylidenemethyl]thio]acetonitrile IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanylcarbothioylsulfanyl]acetonitrile Traditional Name: 2-[[(2,4-dimethylbenzyl)thio]carbothioylthio]acetonitrile Formula: C12H13NS3 MolecularWeight: 267.43332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC(=S)SCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC(=S)SCC#N)C

InChI

InChI=1S/C12H13NS3/c1-9-3-4-11(10(2)7-9)8-16-12(14)15-6-5-13/h3-4,7H,6,8H2,1-2H3