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

Systemtic Name: 3-ethylsulfonyl-4-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)-1,2,4-triazole Openeye Name: 3-ethylsulfonyl-4-methyl-5-(1-methyl-5-nitro-imidazol-2-yl)-1,2,4-triazole CAS Name: 3-ethylsulfonyl-4-methyl-5-(1-methyl-5-nitro-2-imidazolyl)-1,2,4-triazole IUPAC Name: 3-ethylsulfonyl-4-methyl-5-(1-methyl-5-nitroimidazol-2-yl)-1,2,4-triazole Traditional Name: 3-esyl-4-methyl-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:

CCS(=O)(=O)C1=NN=C(N1C)C2=NC=C(N2C)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(N1C)C2=NC=C(N2C)[N+](=O)[O-]

InChI

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