1-(2,6-dimethylphenyl)-2,4-bis(oxidanylidene)-3-[1,1,2,2-tetrakis(chloranyl)ethylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 1-(2,6-dimethylphenyl)-2,4-bis(oxidanylidene)-3-[1,1,2,2-tetrakis(chloranyl)ethylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 1-(2,6-dimethylphenyl)-2,4-dioxo-3-(1,1,2,2-tetrachloroethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 1-(2,6-dimethylphenyl)-2,4-dioxo-3-(1,1,2,2-tetrachloroethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-(2,6-dimethylphenyl)-2,4-dioxo-3-(1,1,2,2-tetrachloroethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 1-(2,6-dimethylphenyl)-2,4-diketo-3-(1,1,2,2-tetrachloroethylthio)pyrimidine-5-carbonitrile Formula: C15H11Cl4N3O2S MolecularWeight: 439.14374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C=C(C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C=C(C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl)C#N

InChI

InChI=1S/C15H11Cl4N3O2S/c1-8-4-3-5-9(2)11(8)21-7-10(6-20)12(23)22(14(21)24)25-15(18,19)13(16)17/h3-5,7,13H,1-2H3