1-(2-methylsulfanylphenyl)-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 1-(2-methylsulfanylphenyl)-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 1-(2-methylsulfanylphenyl)-2,4-dioxo-pyrimidine-5-carbonitrile CAS Name: 1-[2-(methylthio)phenyl]-2,4-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 1-(2-methylsulfanylphenyl)-2,4-dioxopyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-1-[2-(methylthio)phenyl]pyrimidine-5-carbonitrile Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C=C(C(=O)NC2=O)C#N

Isomeric SMILES

CSC1=CC=CC=C1N2C=C(C(=O)NC2=O)C#N

InChI

InChI=1S/C12H9N3O2S/c1-18-10-5-3-2-4-9(10)15-7-8(6-13)11(16)14-12(15)17/h2-5,7H,1H3,(H,14,16,17)