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

Systemtic Name: N-[4-[2-(3-cyclohexyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[[2-(3-cyclohexyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]acetamide CAS Name: N-[4-[[2-(3-cyclohexyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-(3-cyclohexyl-5-oxo-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-(3-cyclohexyl-5-keto-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]acetamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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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)C5CCCCC5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=CC(=NC3=CC=CC=C32)C4=C(NNC4=O)C5CCCCC5

InChI

InChI=1S/C26H26N4O2S/c1-16(31)27-18-11-13-19(14-12-18)33-23-15-22(28-21-10-6-5-9-20(21)23)24-25(29-30-26(24)32)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,27,31)(H2,29,30,32)