(1-ethyl-5-methyl-2-naphthalen-1-yl-3H-pyrazol-3-yl) 4-(trifluoromethylsulfonyl)benzoate

Systemtic Name: (1-ethyl-5-methyl-2-naphthalen-1-yl-3H-pyrazol-3-yl) 4-(trifluoromethylsulfonyl)benzoate Openeye Name: [1-ethyl-5-methyl-2-(1-naphthyl)-3H-pyrazol-3-yl] 4-(trifluoromethylsulfonyl)benzoate CAS Name: 4-(trifluoromethylsulfonyl)benzoic acid [1-ethyl-5-methyl-2-(1-naphthalenyl)-3H-pyrazol-3-yl] ester IUPAC Name: (1-ethyl-5-methyl-2-naphthalen-1-yl-3H-pyrazol-3-yl) 4-(trifluoromethylsulfonyl)benzoate Traditional Name: 4-triflylbenzoic acid [1-ethyl-5-methyl-2-(1-naphthyl)-3-pyrazolin-3-yl] ester Formula: C24H21F3N2O4S MolecularWeight: 490.49475

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(N1C2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CCN1C(=CC(N1C2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C24H21F3N2O4S/c1-3-28-16(2)15-22(29(28)21-10-6-8-17-7-4-5-9-20(17)21)33-23(30)18-11-13-19(14-12-18)34(31,32)24(25,26)27/h4-15,22H,3H2,1-2H3