6-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-methylphenyl)-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[[2-keto-2-(p-tolyl)ethyl]thio]-6-(p-tolyl)-1H-pyrimidine-5-carbonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C21H17N3O2S/c1-13-3-7-15(8-4-13)18(25)12-27-21-23-19(17(11-22)20(26)24-21)16-9-5-14(2)6-10-16/h3-10H,12H2,1-2H3,(H,23,24,26)