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

Systemtic Name: 5-[[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H11N5O4S2 MolecularWeight: 389.40894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O4S2/c1-19-5-4-16-15(19)26-11-3-2-8(7-10(11)20(23)24)6-9-12(21)17-14(25)18-13(9)22/h2-7H,1H3,(H2,17,18,21,22,25)