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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S/c1-3-7-16-14-19(21(20-16)17-8-5-4-6-9-17)24-25(22,23)18-12-10-15(2)11-13-18/h4-6,8-14H,3,7H2,1-2H3