4-ethyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-methylsulfonyl-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-methylsulfonyl-1,2,4-triazole Openeye Name: 4-ethyl-3-(1-methyl-5-nitro-imidazol-2-yl)-5-methylsulfonyl-1,2,4-triazole CAS Name: 4-ethyl-3-(1-methyl-5-nitro-2-imidazolyl)-5-methylsulfonyl-1,2,4-triazole IUPAC Name: 4-ethyl-3-(1-methyl-5-nitroimidazol-2-yl)-5-methylsulfonyl-1,2,4-triazole Traditional Name: 4-ethyl-3-mesyl-5-(1-methyl-5-nitro-imidazol-2-yl)-1,2,4-triazole Formula: C9H12N6O4S MolecularWeight: 300.29438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1S(=O)(=O)C)C2=NC=C(N2C)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1S(=O)(=O)C)C2=NC=C(N2C)[N+](=O)[O-]

InChI

InChI=1S/C9H12N6O4S/c1-4-14-8(11-12-9(14)20(3,18)19)7-10-5-6(13(7)2)15(16)17/h5H,4H2,1-3H3