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

Systemtic Name: 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-pyrazole Openeye Name: 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-pyrazole CAS Name: 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynylpyrazole IUPAC Name: 4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynylpyrazole Traditional Name: 3-(4-mesylphenyl)-4-(4-methoxyphenyl)-1-propargyl-pyrazole Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#C

InChI

InChI=1S/C20H18N2O3S/c1-4-13-22-14-19(15-5-9-17(25-2)10-6-15)20(21-22)16-7-11-18(12-8-16)26(3,23)24/h1,5-12,14H,13H2,2-3H3