4-[4-(4-aminophenyl)sulfanyl-6-methoxy-quinolin-2-yl]-5-propyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[4-(4-aminophenyl)sulfanyl-6-methoxy-quinolin-2-yl]-5-propyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[4-(4-aminophenyl)sulfanyl-6-methoxy-2-quinolyl]-5-propyl-1,2-dihydropyrazol-3-one CAS Name: 4-[4-[(4-aminophenyl)thio]-6-methoxy-2-quinolinyl]-5-propyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[4-(4-aminophenyl)sulfanyl-6-methoxyquinolin-2-yl]-5-propyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[4-[(4-aminophenyl)thio]-6-methoxy-2-quinolyl]-5-propyl-3-pyrazolin-3-one Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NN1)C2=NC3=C(C=C(C=C3)OC)C(=C2)SC4=CC=C(C=C4)N

Isomeric SMILES

CCCC1=C(C(=O)NN1)C2=NC3=C(C=C(C=C3)OC)C(=C2)SC4=CC=C(C=C4)N

InChI

InChI=1S/C22H22N4O2S/c1-3-4-18-21(22(27)26-25-18)19-12-20(29-15-8-5-13(23)6-9-15)16-11-14(28-2)7-10-17(16)24-19/h5-12H,3-4,23H2,1-2H3,(H2,25,26,27)