[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 1-(p-tolylsulfonyl)cyclopropanecarboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-1-cyclopropanecarboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 1-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate Traditional Name: 1-tosylcyclopropanecarboxylic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C27H23N3O6S2 MolecularWeight: 549.61802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)OC3=C(C(=NN3C4=CC=CC=C4)C)SC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(CC2)C(=O)OC3=C(C(=NN3C4=CC=CC=C4)C)SC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O6S2/c1-18-12-14-21(15-13-18)38(34,35)27(16-17-27)26(31)36-25-24(37-23-11-7-6-10-22(23)30(32)33)19(2)28-29(25)20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3