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

Systemtic Name: 5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H13N5O4S MolecularWeight: 419.41332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C20H13N5O4S/c26-18-16(19(27)22-20(30)21-18)10-13-11-24(14-6-2-1-3-7-14)23-17(13)12-5-4-8-15(9-12)25(28)29/h1-11H,(H2,21,22,26,27,30)