4-[4-(2-methoxyphenyl)sulfanylquinolin-2-yl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[4-(2-methoxyphenyl)sulfanylquinolin-2-yl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[4-(2-methoxyphenyl)sulfanyl-2-quinolyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[4-[(2-methoxyphenyl)thio]-2-quinolinyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[4-(2-methoxyphenyl)sulfanylquinolin-2-yl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[4-[(2-methoxyphenyl)thio]-2-quinolyl]-5-methyl-3-pyrazolin-3-one Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=CC=C4OC

InChI

InChI=1S/C20H17N3O2S/c1-12-19(20(24)23-22-12)15-11-18(13-7-3-4-8-14(13)21-15)26-17-10-6-5-9-16(17)25-2/h3-11H,1-2H3,(H2,22,23,24)