2-[[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]methylidene]propanedinitrile Openeye Name: 2-[[3-(benzylsulfanylmethyl)-2,5-dimethyl-phenyl]methylene]propanedinitrile CAS Name: 2-[[2,5-dimethyl-3-[(phenylmethylthio)methyl]phenyl]methylidene]propanedinitrile IUPAC Name: 2-[[3-(benzylsulfanylmethyl)-2,5-dimethylphenyl]methylidene]propanedinitrile Traditional Name: 2-[3-[(benzylthio)methyl]-2,5-dimethyl-benzylidene]malononitrile Formula: C20H18N2S MolecularWeight: 318.43532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=C(C#N)C#N)C)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=C1)C=C(C#N)C#N)C)CSCC2=CC=CC=C2

InChI

InChI=1S/C20H18N2S/c1-15-8-19(10-18(11-21)12-22)16(2)20(9-15)14-23-13-17-6-4-3-5-7-17/h3-10H,13-14H2,1-2H3