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

Systemtic Name: 1-(2-cyanophenyl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-(2-cyanophenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 1-(2-cyanophenyl)-2,4-dioxo-3-(trichloromethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-(2-cyanophenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 1-(2-cyanophenyl)-2,4-diketo-3-(trichloromethylthio)pyrimidine-5-carbonitrile Formula: C13H5Cl3N4O2S MolecularWeight: 387.6284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H5Cl3N4O2S/c14-13(15,16)23-20-11(21)9(6-18)7-19(12(20)22)10-4-2-1-3-8(10)5-17/h1-4,7H