5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-[(3-methyl-5-nitro-4-imidazolyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-[(3-methyl-5-nitro-imidazol-4-yl)thio]-1H-1,2,4-triazole Formula: C6H6N6O2S MolecularWeight: 226.21584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C6H6N6O2S/c1-11-3-8-4(12(13)14)5(11)15-6-7-2-9-10-6/h2-3H,1H3,(H,7,9,10)