1-(4-methoxyphenyl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=O)N(C2=O)SC(Cl)(Cl)Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=O)N(C2=O)SC(Cl)(Cl)Cl)C#N

InChI

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