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

Systemtic Name: N-[4-[2-(3-cyclopropyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[2-(3-cyclopropyl-5-keto-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]cyclopropanecarboxamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=O)NN2)C3=NC4=CC=CC=C4C(=C3)SC5=CC=C(C=C5)NC(=O)C6CC6

Isomeric SMILES

C1CC1C2=C(C(=O)NN2)C3=NC4=CC=CC=C4C(=C3)SC5=CC=C(C=C5)NC(=O)C6CC6

InChI

InChI=1S/C25H22N4O2S/c30-24(15-7-8-15)26-16-9-11-17(12-10-16)32-21-13-20(27-19-4-2-1-3-18(19)21)22-23(14-5-6-14)28-29-25(22)31/h1-4,9-15H,5-8H2,(H,26,30)(H2,28,29,31)