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

Systemtic Name: 5-[[2-(4-bromophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2-(4-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-(4-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2-(4-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-bromophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H11BrN4O3S MolecularWeight: 407.24184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Br)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Br)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C15H11BrN4O3S/c1-7-10(6-11-12(21)17-15(24)18-13(11)22)14(23)20(19-7)9-4-2-8(16)3-5-9/h2-6,19H,1H3,(H2,17,18,21,22,24)