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

Systemtic Name: (5Z)-1-(4-bromophenyl)-5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(4-bromophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(4-bromophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(4-bromophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(4-bromophenyl)-5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H15BrN4O3S MolecularWeight: 483.3378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H15BrN4O3S/c1-12-16(20(29)26(24-12)15-5-3-2-4-6-15)11-17-18(27)23-21(30)25(19(17)28)14-9-7-13(22)8-10-14/h2-11,16H,1H3,(H,23,27,30)/b17-11-