2-chloranyl-7-methyl-3-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-7-methyl-3-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-7-methyl-3-[2-methylsulfonyl-5-(p-tolyl)-3,4-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-7-methyl-3-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-7-methyl-3-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-3-[2-mesyl-5-(p-tolyl)-2-pyrazolin-3-yl]-7-methyl-quinoline Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=C(C=CC4=C3)C)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=C(C=CC4=C3)C)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H20ClN3O2S/c1-13-4-7-15(8-5-13)19-12-20(25(24-19)28(3,26)27)17-11-16-9-6-14(2)10-18(16)23-21(17)22/h4-11,20H,12H2,1-3H3