5-[[2-(2,4-dimethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[2-(2,4-dimethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(2,4-dimethylphenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C(=O)NC(=S)NC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C(=O)NC(=S)NC3=O)C

InChI

InChI=1S/C17H16N4O3S/c1-8-4-5-13(9(2)6-8)21-16(24)11(10(3)20-21)7-12-14(22)18-17(25)19-15(12)23/h4-7,20H,1-3H3,(H2,18,19,22,23,25)