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

Systemtic Name: 5-[(4-nitrophenyl)methylsulfonyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-nitrophenyl)methylsulfonyl]-1H-1,2,4-triazole CAS Name: 5-[(4-nitrophenyl)methylsulfonyl]-1H-1,2,4-triazole IUPAC Name: 5-[(4-nitrophenyl)methylsulfonyl]-1H-1,2,4-triazole Traditional Name: 5-(4-nitrobenzyl)sulfonyl-1H-1,2,4-triazole Formula: C9H8N4O4S MolecularWeight: 268.24922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)C2=NC=NN2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O4S/c14-13(15)8-3-1-7(2-4-8)5-18(16,17)9-10-6-11-12-9/h1-4,6H,5H2,(H,10,11,12)