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

Systemtic Name: N-[4-[2-(3-ethyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[[2-(3-ethyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]acetamide CAS Name: N-[4-[[2-(3-ethyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-(3-ethyl-5-oxo-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(3-ethyl-5-keto-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]acetamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C22H20N4O2S/c1-3-17-21(22(28)26-25-17)19-12-20(16-6-4-5-7-18(16)24-19)29-15-10-8-14(9-11-15)23-13(2)27/h4-12H,3H2,1-2H3,(H,23,27)(H2,25,26,28)