3-thiophen-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-thiophen-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazin-6-one Openeye Name: 3-(2-thienyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazin-6-one CAS Name: 3-thiophen-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-thiophen-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyridazin-6-one Traditional Name: 3-(2-thienyl)-5-[4-(trifluoromethyl)benzyl]-1H-pyridazin-6-one Formula: C16H11F3N2OS MolecularWeight: 336.33155

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=O)C(=C2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=O)C(=C2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H11F3N2OS/c17-16(18,19)12-5-3-10(4-6-12)8-11-9-13(20-21-15(11)22)14-2-1-7-23-14/h1-7,9H,8H2,(H,21,22)