2,3-dimethyl-2-methylsulfanyl-3-phenyl-butanedinitrile

Systemtic Name: 2,3-dimethyl-2-methylsulfanyl-3-phenyl-butanedinitrile Openeye Name: 2,3-dimethyl-2-methylsulfanyl-3-phenyl-butanedinitrile CAS Name: 2,3-dimethyl-2-(methylthio)-3-phenylbutanedinitrile IUPAC Name: 2,3-dimethyl-2-methylsulfanyl-3-phenylbutanedinitrile Traditional Name: 2,3-dimethyl-2-(methylthio)-3-phenyl-succinonitrile Formula: C13H14N2S MolecularWeight: 230.32866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2S/c1-12(9-14,13(2,10-15)16-3)11-7-5-4-6-8-11/h4-8H,1-3H3