[5-(2-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-quinolin-3-yl-methanone

Systemtic Name: [5-(2-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-quinolin-3-yl-methanone Openeye Name: [5-(2-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-(3-quinolyl)methanone CAS Name: [5-[2-(methylthio)phenyl]-3,4-dihydropyrazol-2-yl]-(3-quinolinyl)methanone IUPAC Name: [5-(2-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-quinolin-3-ylmethanone Traditional Name: [3-[2-(methylthio)phenyl]-2-pyrazolin-1-yl]-(3-quinolyl)methanone Formula: C20H17N3OS MolecularWeight: 347.43348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=NN(CC2)C(=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CSC1=CC=CC=C1C2=NN(CC2)C(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H17N3OS/c1-25-19-9-5-3-7-16(19)18-10-11-23(22-18)20(24)15-12-14-6-2-4-8-17(14)21-13-15/h2-9,12-13H,10-11H2,1H3