5-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-3-(4-fluorophenyl)-1H-pyridazin-6-one

Systemtic Name: 5-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-3-(4-fluorophenyl)-1H-pyridazin-6-one Openeye Name: 5-[[4-(4-tert-butylthiazol-2-yl)phenyl]methyl]-3-(4-fluorophenyl)-1H-pyridazin-6-one CAS Name: 5-[[4-(4-tert-butyl-2-thiazolyl)phenyl]methyl]-3-(4-fluorophenyl)-1H-pyridazin-6-one IUPAC Name: 5-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-3-(4-fluorophenyl)-1H-pyridazin-6-one Traditional Name: 5-[4-(4-tert-butylthiazol-2-yl)benzyl]-3-(4-fluorophenyl)-1H-pyridazin-6-one Formula: C24H22FN3OS MolecularWeight: 419.514383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)CC3=CC(=NNC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)CC3=CC(=NNC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3OS/c1-24(2,3)21-14-30-23(26-21)17-6-4-15(5-7-17)12-18-13-20(27-28-22(18)29)16-8-10-19(25)11-9-16/h4-11,13-14H,12H2,1-3H3,(H,28,29)