6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[(3-methyl-5-nitro-imidazol-4-yl)thio]-2H-1,2,4-triazine-3,5-quinone Formula: C7H6N6O4S MolecularWeight: 270.22534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NNC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NNC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C7H6N6O4S/c1-12-2-8-3(13(16)17)6(12)18-5-4(14)9-7(15)11-10-5/h2H,1H3,(H2,9,11,14,15)