5-methylsulfonyl-3-nitro-1-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 5-methylsulfonyl-3-nitro-1-(phenylmethyl)-1,2,4-triazole Openeye Name: 1-benzyl-5-methylsulfonyl-3-nitro-1,2,4-triazole CAS Name: 5-methylsulfonyl-3-nitro-1-(phenylmethyl)-1,2,4-triazole IUPAC Name: 1-benzyl-5-methylsulfonyl-3-nitro-1,2,4-triazole Traditional Name: 1-benzyl-5-mesyl-3-nitro-1,2,4-triazole Formula: C10H10N4O4S MolecularWeight: 282.2758

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=NN1CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=NC(=NN1CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O4S/c1-19(17,18)10-11-9(14(15)16)12-13(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3