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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)N

Isomeric SMILES

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)N

InChI

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