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

Systemtic Name: 1-(diphenylmethyl)-5-methylsulfonyl-3-nitro-1,2,4-triazole Openeye Name: 1-benzhydryl-5-methylsulfonyl-3-nitro-1,2,4-triazole CAS Name: 1-(diphenylmethyl)-5-methylsulfonyl-3-nitro-1,2,4-triazole IUPAC Name: 1-benzhydryl-5-methylsulfonyl-3-nitro-1,2,4-triazole Traditional Name: 1-benzhydryl-5-mesyl-3-nitro-1,2,4-triazole Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=NN1C(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=NC(=NN1C(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-25(23,24)16-17-15(20(21)22)18-19(16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3