[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O3S/c1-2-3-10-23-17(24)9-8-16(22-23)19(25)26-11-15-12-27-18(21-15)13-4-6-14(20)7-5-13/h4-9,12H,2-3,10-11H2,1H3