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

Systemtic Name: 1-(4-tert-butylphenyl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-(4-tert-butylphenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 1-(4-tert-butylphenyl)-2,4-dioxo-3-(trichloromethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-(4-tert-butylphenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 1-(4-tert-butylphenyl)-2,4-diketo-3-(trichloromethylthio)pyrimidine-5-carbonitrile Formula: C16H14Cl3N3O2S MolecularWeight: 418.72526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Cl3N3O2S/c1-15(2,3)11-4-6-12(7-5-11)21-9-10(8-20)13(23)22(14(21)24)25-16(17,18)19/h4-7,9H,1-3H3