4-methylsulfonyl-1-(4-nitrophenyl)-5-phenyl-pyrazole

Systemtic Name: 4-methylsulfonyl-1-(4-nitrophenyl)-5-phenyl-pyrazole Openeye Name: 4-methylsulfonyl-1-(4-nitrophenyl)-5-phenyl-pyrazole CAS Name: 4-methylsulfonyl-1-(4-nitrophenyl)-5-phenylpyrazole IUPAC Name: 4-methylsulfonyl-1-(4-nitrophenyl)-5-phenylpyrazole Traditional Name: 4-mesyl-1-(4-nitrophenyl)-5-phenyl-pyrazole Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c1-24(22,23)15-11-17-18(16(15)12-5-3-2-4-6-12)13-7-9-14(10-8-13)19(20)21/h2-11H,1H3