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

Systemtic Name: 4-[4-(4-aminophenyl)sulfanylquinolin-2-yl]-5-propan-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[4-(4-aminophenyl)sulfanyl-2-quinolyl]-5-isopropyl-1,2-dihydropyrazol-3-one CAS Name: 4-[4-[(4-aminophenyl)thio]-2-quinolinyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[4-(4-aminophenyl)sulfanylquinolin-2-yl]-5-propan-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[4-[(4-aminophenyl)thio]-2-quinolyl]-5-isopropyl-3-pyrazolin-3-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)N

Isomeric SMILES

CC(C)C1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)N

InChI

InChI=1S/C21H20N4OS/c1-12(2)20-19(21(26)25-24-20)17-11-18(15-5-3-4-6-16(15)23-17)27-14-9-7-13(22)8-10-14/h3-12H,22H2,1-2H3,(H2,24,25,26)