2-[[2,4-dimethyl-5-[(phenylmethylsulfanyl)methyl]phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[2,4-dimethyl-5-[(phenylmethylsulfanyl)methyl]phenyl]methylidene]propanedinitrile Openeye Name: 2-[[5-(benzylsulfanylmethyl)-2,4-dimethyl-phenyl]methylene]propanedinitrile CAS Name: 2-[[2,4-dimethyl-5-[(phenylmethylthio)methyl]phenyl]methylidene]propanedinitrile IUPAC Name: 2-[[5-(benzylsulfanylmethyl)-2,4-dimethylphenyl]methylidene]propanedinitrile Traditional Name: 2-[5-[(benzylthio)methyl]-2,4-dimethyl-benzylidene]malononitrile Formula: C20H18N2S MolecularWeight: 318.43532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C#N)CSCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1C=C(C#N)C#N)CSCC2=CC=CC=C2)C

InChI

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