1-(2-chloranyl-6-methyl-phenyl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 1-(2-chloranyl-6-methyl-phenyl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-(2-chloro-6-methyl-phenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 1-(2-chloro-6-methylphenyl)-2,4-dioxo-3-(trichloromethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-(2-chloro-6-methylphenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 1-(2-chloro-6-methyl-phenyl)-2,4-diketo-3-(trichloromethylthio)pyrimidine-5-carbonitrile Formula: C13H7Cl4N3O2S MolecularWeight: 411.09058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7Cl4N3O2S/c1-7-3-2-4-9(14)10(7)19-6-8(5-18)11(21)20(12(19)22)23-13(15,16)17/h2-4,6H,1H3