1-(2-methylphenyl)sulfonyl-3-nitro-1,2,4-triazole

Systemtic Name: 1-(2-methylphenyl)sulfonyl-3-nitro-1,2,4-triazole Openeye Name: 3-nitro-1-(o-tolylsulfonyl)-1,2,4-triazole CAS Name: 1-(2-methylphenyl)sulfonyl-3-nitro-1,2,4-triazole IUPAC Name: 1-(2-methylphenyl)sulfonyl-3-nitro-1,2,4-triazole Traditional Name: 3-nitro-1-(o-tolylsulfonyl)-1,2,4-triazole Formula: C9H8N4O4S MolecularWeight: 268.24922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O4S/c1-7-4-2-3-5-8(7)18(16,17)12-6-10-9(11-12)13(14)15/h2-6H,1H3