3-(2,5-dimethylphenyl)-6-methylsulfanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 3-(2,5-dimethylphenyl)-6-methylsulfanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carbonitrile Openeye Name: 3-(2,5-dimethylphenyl)-6-methylsulfanyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile CAS Name: 3-(2,5-dimethylphenyl)-6-(methylthio)-2,4-dioxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 3-(2,5-dimethylphenyl)-6-methylsulfanyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile Traditional Name: 3-(2,5-dimethylphenyl)-2,4-diketo-6-(methylthio)-1H-pyrimidine-5-carbonitrile Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C(=C(NC2=O)SC)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C(=C(NC2=O)SC)C#N

InChI

InChI=1S/C14H13N3O2S/c1-8-4-5-9(2)11(6-8)17-13(18)10(7-15)12(20-3)16-14(17)19/h4-6H,1-3H3,(H,16,19)