3-[(E)-but-1-enyl]-5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole

Systemtic Name: 3-[(E)-but-1-enyl]-5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole Openeye Name: 3-[(E)-but-1-enyl]-5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole CAS Name: 3-[(E)-but-1-enyl]-5-(4-methylsulfonylphenyl)-1-phenylpyrazole IUPAC Name: 3-[(E)-but-1-enyl]-5-(4-methylsulfonylphenyl)-1-phenylpyrazole Traditional Name: 3-[(E)-but-1-enyl]-5-(4-mesylphenyl)-1-phenyl-pyrazole Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2S/c1-3-4-8-17-15-20(22(21-17)18-9-6-5-7-10-18)16-11-13-19(14-12-16)25(2,23)24/h4-15H,3H2,1-2H3/b8-4+