3-butyl-1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole

Systemtic Name: 3-butyl-1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole Openeye Name: 3-butyl-1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole CAS Name: 3-butyl-1-(4-methylsulfonylphenyl)-5-phenylpyrazole IUPAC Name: 3-butyl-1-(4-methylsulfonylphenyl)-5-phenylpyrazole Traditional Name: 3-butyl-1-(4-mesylphenyl)-5-phenyl-pyrazole Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O2S/c1-3-4-10-17-15-20(16-8-6-5-7-9-16)22(21-17)18-11-13-19(14-12-18)25(2,23)24/h5-9,11-15H,3-4,10H2,1-2H3