5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H15N5O5S MolecularWeight: 449.4393

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O5S/c1-31-17-8-7-12(10-16(17)26(29)30)18-13(9-15-19(27)22-21(32)23-20(15)28)11-25(24-18)14-5-3-2-4-6-14/h2-11H,1H3,(H2,22,23,27,28,32)