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

Systemtic Name: 1-(2-methyl-6-oxidanyl-phenyl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-(2-hydroxy-6-methyl-phenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 1-(2-hydroxy-6-methylphenyl)-2,4-dioxo-3-(trichloromethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-(2-hydroxy-6-methylphenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 1-(2-hydroxy-6-methyl-phenyl)-2,4-diketo-3-(trichloromethylthio)pyrimidine-5-carbonitrile Formula: C13H8Cl3N3O3S MolecularWeight: 392.64492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8Cl3N3O3S/c1-7-3-2-4-9(20)10(7)18-6-8(5-17)11(21)19(12(18)22)23-13(14,15)16/h2-4,6,20H,1H3