5-[4-nitro-3-(phenylsulfonylmethyl)phenyl]-1H-pyrazole

Systemtic Name: 5-[4-nitro-3-(phenylsulfonylmethyl)phenyl]-1H-pyrazole Openeye Name: 5-[3-(benzenesulfonylmethyl)-4-nitro-phenyl]-1H-pyrazole CAS Name: 5-[3-(benzenesulfonylmethyl)-4-nitrophenyl]-1H-pyrazole IUPAC Name: 5-[3-(benzenesulfonylmethyl)-4-nitrophenyl]-1H-pyrazole Traditional Name: 5-[3-(besylmethyl)-4-nitro-phenyl]-1H-pyrazole Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C3=CC=NN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C3=CC=NN3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c20-19(21)16-7-6-12(15-8-9-17-18-15)10-13(16)11-24(22,23)14-4-2-1-3-5-14/h1-10H,11H2,(H,17,18)