(2,5-diphenyl-3,4-dihydropyrazol-3-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2,5-diphenyl-3,4-dihydropyrazol-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (2,5-diphenyl-3,4-dihydropyrazol-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,5-diphenyl-3,4-dihydropyrazol-3-yl)methyl ester IUPAC Name: (2,5-diphenyl-3,4-dihydropyrazol-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,5-diphenyl-2-pyrazolin-3-yl)methyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S/c1-18-12-14-22(15-13-18)29(26,27)28-17-21-16-23(19-8-4-2-5-9-19)24-25(21)20-10-6-3-7-11-20/h2-15,21H,16-17H2,1H3