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

Systemtic Name: 5-[[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-methyl-3-oxo-2-(p-tolyl)-1H-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-keto-3-methyl-1-(p-tolyl)-3-pyrazolin-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H14N4O3S MolecularWeight: 342.37236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S/c1-8-3-5-10(6-4-8)20-15(23)11(9(2)19-20)7-12-13(21)17-16(24)18-14(12)22/h3-7,19H,1-2H3,(H2,17,18,21,22,24)