5-(phenylmethyl)-4-(4-phenylsulfanylquinolin-2-yl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(phenylmethyl)-4-(4-phenylsulfanylquinolin-2-yl)-1,2-dihydropyrazol-3-one Openeye Name: 5-benzyl-4-(4-phenylsulfanyl-2-quinolyl)-1,2-dihydropyrazol-3-one CAS Name: 5-(phenylmethyl)-4-[4-(phenylthio)-2-quinolinyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-benzyl-4-(4-phenylsulfanylquinolin-2-yl)-1,2-dihydropyrazol-3-one Traditional Name: 5-benzyl-4-[4-(phenylthio)-2-quinolyl]-3-pyrazolin-3-one Formula: C25H19N3OS MolecularWeight: 409.50286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=O)NN2)C3=NC4=CC=CC=C4C(=C3)SC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=O)NN2)C3=NC4=CC=CC=C4C(=C3)SC5=CC=CC=C5

InChI

InChI=1S/C25H19N3OS/c29-25-24(22(27-28-25)15-17-9-3-1-4-10-17)21-16-23(30-18-11-5-2-6-12-18)19-13-7-8-14-20(19)26-21/h1-14,16H,15H2,(H2,27,28,29)