4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-pyrazole

Systemtic Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-pyrazole Openeye Name: 3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-4-(p-tolyl)pyrazole CAS Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynylpyrazole IUPAC Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynylpyrazole Traditional Name: 3-(4-mesylphenyl)-1-propargyl-4-(p-tolyl)pyrazole Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C

InChI

InChI=1S/C20H18N2O2S/c1-4-13-22-14-19(16-7-5-15(2)6-8-16)20(21-22)17-9-11-18(12-10-17)25(3,23)24/h1,5-12,14H,13H2,2-3H3