1-(4-bromanyl-2-fluoranyl-phenyl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 1-(4-bromanyl-2-fluoranyl-phenyl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 1-(4-bromo-2-fluorophenyl)-2,4-dioxo-3-(trichloromethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-(4-bromo-2-fluorophenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-2,4-diketo-3-(trichloromethylthio)pyrimidine-5-carbonitrile Formula: C12H4BrCl3FN3O2S MolecularWeight: 459.505463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)N2C=C(C(=O)N(C2=O)SC(Cl)(Cl)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1Br)F)N2C=C(C(=O)N(C2=O)SC(Cl)(Cl)Cl)C#N

InChI

InChI=1S/C12H4BrCl3FN3O2S/c13-7-1-2-9(8(17)3-7)19-5-6(4-18)10(21)20(11(19)22)23-12(14,15)16/h1-3,5H