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

Systemtic Name: N-[4-[2-(3-oxidanylidene-5-propan-2-yl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]methanesulfonamide Openeye Name: N-[4-[[2-(3-isopropyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]methanesulfonamide CAS Name: N-[4-[[2-(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]methanesulfonamide Traditional Name: N-[4-[[2-(3-isopropyl-5-keto-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]methanesulfonamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CC(C)C1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C22H22N4O3S2/c1-13(2)21-20(22(27)25-24-21)18-12-19(16-6-4-5-7-17(16)23-18)30-15-10-8-14(9-11-15)26-31(3,28)29/h4-13,26H,1-3H3,(H2,24,25,27)