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

Systemtic Name: N-[4-[2-[3-oxidanylidene-5-(phenylmethyl)-1,2-dihydropyrazol-4-yl]quinolin-4-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[[2-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]acetamide CAS Name: N-[4-[[2-[3-oxo-5-(phenylmethyl)-1,2-dihydropyrazol-4-yl]-4-quinolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(3-benzyl-5-keto-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]acetamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=CC(=NC3=CC=CC=C32)C4=C(NNC4=O)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=CC(=NC3=CC=CC=C32)C4=C(NNC4=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O2S/c1-17(32)28-19-11-13-20(14-12-19)34-25-16-23(29-22-10-6-5-9-21(22)25)26-24(30-31-27(26)33)15-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,28,32)(H2,30,31,33)