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

Systemtic Name: 1-(4-ethylphenyl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-(4-ethylphenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 1-(4-ethylphenyl)-2,4-dioxo-3-(trichloromethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-(4-ethylphenyl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 1-(4-ethylphenyl)-2,4-diketo-3-(trichloromethylthio)pyrimidine-5-carbonitrile Formula: C14H10Cl3N3O2S MolecularWeight: 390.6721

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=C(C(=O)N(C2=O)SC(Cl)(Cl)Cl)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=C(C(=O)N(C2=O)SC(Cl)(Cl)Cl)C#N

InChI

InChI=1S/C14H10Cl3N3O2S/c1-2-9-3-5-11(6-4-9)19-8-10(7-18)12(21)20(13(19)22)23-14(15,16)17/h3-6,8H,2H2,1H3