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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NS(=O)(=O)C

InChI

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