(2-phenyl-5-propan-2-yl-pyrazol-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-phenyl-5-propan-2-yl-pyrazol-3-yl) 4-methylbenzenesulfonate Openeye Name: (5-isopropyl-2-phenyl-pyrazol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-phenyl-5-propan-2-yl-3-pyrazolyl) ester IUPAC Name: (2-phenyl-5-propan-2-ylpyrazol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-isopropyl-2-phenyl-pyrazol-3-yl) ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C19H20N2O3S/c1-14(2)18-13-19(21(20-18)16-7-5-4-6-8-16)24-25(22,23)17-11-9-15(3)10-12-17/h4-14H,1-3H3