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

Systemtic Name: N-[4-[2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]acetamide CAS Name: N-[4-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(3-keto-5-methyl-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C21H18N4O2S/c1-12-20(21(27)25-24-12)18-11-19(16-5-3-4-6-17(16)23-18)28-15-9-7-14(8-10-15)22-13(2)26/h3-11H,1-2H3,(H,22,26)(H2,24,25,27)