(4S)-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-propyl-2-thiophen-2-ylcarbonyl-4H-pyrazol-3-one

Systemtic Name: (4S)-4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-propyl-2-thiophen-2-ylcarbonyl-4H-pyrazol-3-one Openeye Name: (4S)-4-[(2-chloro-6-fluoro-phenyl)methyl]-5-propyl-2-(thiophene-2-carbonyl)-4H-pyrazol-3-one CAS Name: (4S)-4-[(2-chloro-6-fluorophenyl)methyl]-2-[oxo(thiophen-2-yl)methyl]-5-propyl-4H-pyrazol-3-one IUPAC Name: (4S)-4-[(2-chloro-6-fluorophenyl)methyl]-5-propyl-2-(thiophene-2-carbonyl)-4H-pyrazol-3-one Traditional Name: (4S)-4-(2-chloro-6-fluoro-benzyl)-5-propyl-2-(2-thenoyl)-2-pyrazolin-3-one Formula: C18H16ClFN2O2S MolecularWeight: 378.848243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=CS3

Isomeric SMILES

CCCC1=NN(C(=O)[C@H]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H16ClFN2O2S/c1-2-5-15-12(10-11-13(19)6-3-7-14(11)20)17(23)22(21-15)18(24)16-8-4-9-25-16/h3-4,6-9,12H,2,5,10H2,1H3/t12-/m0/s1