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

Systemtic Name: N-[4-[2-(3-oxidanylidene-5-propan-2-yl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[[2-(3-isopropyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]acetamide CAS Name: N-[4-[[2-(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-(3-oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(3-isopropyl-5-keto-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O2S/c1-13(2)22-21(23(29)27-26-22)19-12-20(17-6-4-5-7-18(17)25-19)30-16-10-8-15(9-11-16)24-14(3)28/h4-13H,1-3H3,(H,24,28)(H2,26,27,29)