2-[2-(4-methylphenyl)sulfanyl-3-oxidanylidene-1,3-diphenyl-propyl]propanedinitrile

Systemtic Name: 2-[2-(4-methylphenyl)sulfanyl-3-oxidanylidene-1,3-diphenyl-propyl]propanedinitrile Openeye Name: 2-[3-oxo-1,3-diphenyl-2-(p-tolylsulfanyl)propyl]propanedinitrile CAS Name: 2-[2-[(4-methylphenyl)thio]-3-oxo-1,3-diphenylpropyl]propanedinitrile IUPAC Name: 2-[2-(4-methylphenyl)sulfanyl-3-oxo-1,3-diphenylpropyl]propanedinitrile Traditional Name: 2-[3-keto-1,3-diphenyl-2-(p-tolylthio)propyl]malononitrile Formula: C25H20N2OS MolecularWeight: 396.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C(C2=CC=CC=C2)C(C#N)C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC(C(C2=CC=CC=C2)C(C#N)C#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H20N2OS/c1-18-12-14-22(15-13-18)29-25(24(28)20-10-6-3-7-11-20)23(21(16-26)17-27)19-8-4-2-5-9-19/h2-15,21,23,25H,1H3