(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C21H14F3N3O3S2 MolecularWeight: 477.47937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C21H14F3N3O3S2/c1-12-7-17(28)18(26-27(12)16-4-2-3-14(8-16)21(22,23)24)20(29)30-9-15-11-32-19(25-15)13-5-6-31-10-13/h2-8,10-11H,9H2,1H3