5-methylsulfonyl-3-(4-nitrophenyl)-1H-1,2,4-triazole

Systemtic Name: 5-methylsulfonyl-3-(4-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 5-methylsulfonyl-3-(4-nitrophenyl)-1H-1,2,4-triazole CAS Name: 5-methylsulfonyl-3-(4-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-methylsulfonyl-3-(4-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-mesyl-3-(4-nitrophenyl)-1H-1,2,4-triazole Formula: C9H8N4O4S MolecularWeight: 268.24922

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=NN1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=NC(=NN1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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