4-[4-(4-aminophenyl)sulfanylquinolin-2-yl]-5-cyclopropyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[4-(4-aminophenyl)sulfanylquinolin-2-yl]-5-cyclopropyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[4-(4-aminophenyl)sulfanyl-2-quinolyl]-5-cyclopropyl-1,2-dihydropyrazol-3-one CAS Name: 4-[4-[(4-aminophenyl)thio]-2-quinolinyl]-5-cyclopropyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[4-(4-aminophenyl)sulfanylquinolin-2-yl]-5-cyclopropyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[4-[(4-aminophenyl)thio]-2-quinolyl]-5-cyclopropyl-3-pyrazolin-3-one Formula: C21H18N4OS MolecularWeight: 374.45882

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4OS/c22-13-7-9-14(10-8-13)27-18-11-17(23-16-4-2-1-3-15(16)18)19-20(12-5-6-12)24-25-21(19)26/h1-4,7-12H,5-6,22H2,(H2,24,25,26)