[4-(3-methylpyrazol-1-yl)quinolin-8-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(3-methylpyrazol-1-yl)quinolin-8-yl] 4-methylbenzenesulfonate Openeye Name: [4-(3-methylpyrazol-1-yl)-8-quinolyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(3-methyl-1-pyrazolyl)-8-quinolinyl] ester IUPAC Name: [4-(3-methylpyrazol-1-yl)quinolin-8-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(3-methylpyrazol-1-yl)-8-quinolyl] ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C(C=CN=C32)N4C=CC(=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C(C=CN=C32)N4C=CC(=N4)C

InChI

InChI=1S/C20H17N3O3S/c1-14-6-8-16(9-7-14)27(24,25)26-19-5-3-4-17-18(10-12-21-20(17)19)23-13-11-15(2)22-23/h3-13H,1-2H3