1-(4-tert-butyl-2,6-dimethyl-phenyl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 1-(4-tert-butyl-2,6-dimethylphenyl)-2,4-dioxo-3-(trichloromethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-(4-tert-butyl-2,6-dimethylphenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 1-(4-tert-butyl-2,6-dimethyl-phenyl)-2,4-diketo-3-(trichloromethylthio)pyrimidine-5-carbonitrile Formula: C18H18Cl3N3O2S MolecularWeight: 446.77842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C=C(C(=O)N(C2=O)SC(Cl)(Cl)Cl)C#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1N2C=C(C(=O)N(C2=O)SC(Cl)(Cl)Cl)C#N)C)C(C)(C)C

InChI

InChI=1S/C18H18Cl3N3O2S/c1-10-6-13(17(3,4)5)7-11(2)14(10)23-9-12(8-22)15(25)24(16(23)26)27-18(19,20)21/h6-7,9H,1-5H3