3-[5-(4-bromophenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-2-chloranyl-7-methyl-quinoline

Systemtic Name: 3-[5-(4-bromophenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-2-chloranyl-7-methyl-quinoline Openeye Name: 3-[5-(4-bromophenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-2-chloro-7-methyl-quinoline CAS Name: 3-[5-(4-bromophenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-2-chloro-7-methylquinoline IUPAC Name: 3-[5-(4-bromophenyl)-2-methylsulfonyl-1,3-dihydropyrazol-3-yl]-2-chloro-7-methylquinoline Traditional Name: 3-[5-(4-bromophenyl)-2-mesyl-3-pyrazolin-3-yl]-2-chloro-7-methyl-quinoline Formula: C20H17BrClN3O2S MolecularWeight: 478.78988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3C=C(NN3S(=O)(=O)C)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3C=C(NN3S(=O)(=O)C)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C20H17BrClN3O2S/c1-12-3-4-14-10-16(20(22)23-17(14)9-12)19-11-18(24-25(19)28(2,26)27)13-5-7-15(21)8-6-13/h3-11,19,24H,1-2H3