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

Systemtic Name: 5-[[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3,5-dimethyl-1-(3-nitrophenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C16H13N5O4S/c1-8-12(7-13-14(22)17-16(26)18-15(13)23)9(2)20(19-8)10-4-3-5-11(6-10)21(24)25/h3-7H,1-2H3,(H2,17,18,22,23,26)