1-but-2-ynyl-3-[3-(4-methylsulfonylphenyl)phenyl]pyrazole

Systemtic Name: 1-but-2-ynyl-3-[3-(4-methylsulfonylphenyl)phenyl]pyrazole Openeye Name: 1-but-2-ynyl-3-[3-(4-methylsulfonylphenyl)phenyl]pyrazole CAS Name: 1-but-2-ynyl-3-[3-(4-methylsulfonylphenyl)phenyl]pyrazole IUPAC Name: 1-but-2-ynyl-3-[3-(4-methylsulfonylphenyl)phenyl]pyrazole Traditional Name: 1-but-2-ynyl-3-[3-(4-mesylphenyl)phenyl]pyrazole Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C=CC(=N1)C2=CC=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC#CCN1C=CC(=N1)C2=CC=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H18N2O2S/c1-3-4-13-22-14-12-20(21-22)18-7-5-6-17(15-18)16-8-10-19(11-9-16)25(2,23)24/h5-12,14-15H,13H2,1-2H3