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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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