1-(4-methylphenyl)-4-methylsulfanyl-2,6-bis(oxidanylidene)-1,3-diazinane-5-carbonitrile

Systemtic Name: 1-(4-methylphenyl)-4-methylsulfanyl-2,6-bis(oxidanylidene)-1,3-diazinane-5-carbonitrile Openeye Name: 4-methylsulfanyl-2,6-dioxo-1-(p-tolyl)hexahydropyrimidine-5-carbonitrile CAS Name: 1-(4-methylphenyl)-4-(methylthio)-2,6-dioxo-1,3-diazinane-5-carbonitrile IUPAC Name: 1-(4-methylphenyl)-4-methylsulfanyl-2,6-dioxo-1,3-diazinane-5-carbonitrile Traditional Name: 2,6-diketo-4-(methylthio)-1-(p-tolyl)hexahydropyrimidine-5-carbonitrile Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(C(NC2=O)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(C(NC2=O)SC)C#N

InChI

InChI=1S/C13H13N3O2S/c1-8-3-5-9(6-4-8)16-12(17)10(7-14)11(19-2)15-13(16)18/h3-6,10-11H,1-2H3,(H,15,18)