N-[4-[2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]methanesulfonamide

Systemtic Name: N-[4-[2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]methanesulfonamide Openeye Name: N-[4-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]methanesulfonamide CAS Name: N-[4-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]methanesulfonamide Traditional Name: N-[4-[[2-(3-keto-5-methyl-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]methanesulfonamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C20H18N4O3S2/c1-12-19(20(25)23-22-12)17-11-18(15-5-3-4-6-16(15)21-17)28-14-9-7-13(8-10-14)24-29(2,26)27/h3-11,24H,1-2H3,(H2,22,23,25)