3-[5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloranyl-6-methoxy-quinoline

Systemtic Name: 3-[5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloranyl-6-methoxy-quinoline Openeye Name: 3-[5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-6-methoxy-quinoline CAS Name: 3-[5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-6-methoxyquinoline IUPAC Name: 3-[5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-6-methoxyquinoline Traditional Name: 3-[5-(4-bromophenyl)-2-mesyl-2-pyrazolin-3-yl]-2-chloro-6-methoxy-quinoline Formula: C20H17BrClN3O3S MolecularWeight: 494.78928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H17BrClN3O3S/c1-28-15-7-8-17-13(9-15)10-16(20(22)23-17)19-11-18(24-25(19)29(2,26)27)12-3-5-14(21)6-4-12/h3-10,19H,11H2,1-2H3