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

Systemtic Name: 3-methylsulfanyl-N-[4-[2-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]propanamide Openeye Name: 3-methylsulfanyl-N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]propanamide CAS Name: 3-(methylthio)-N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]propanamide IUPAC Name: 3-methylsulfanyl-N-[4-[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[2-(3-keto-5-propyl-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]-3-(methylthio)propionamide Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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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)NC(=O)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2S2/c1-3-6-20-24(25(31)29-28-20)21-15-22(18-7-4-5-8-19(18)27-21)33-17-11-9-16(10-12-17)26-23(30)13-14-32-2/h4-5,7-12,15H,3,6,13-14H2,1-2H3,(H,26,30)(H2,28,29,31)