ethyl 4-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate Traditional Name: 4-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-3-keto-butyric acid ethyl ester Formula: C17H15FN4O3S MolecularWeight: 374.389403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1

InChI

InChI=1S/C17H15FN4O3S/c1-2-25-16(24)9-13(23)10-26-15-8-7-14-19-20-17(22(14)21-15)11-3-5-12(18)6-4-11/h3-8H,2,9-10H2,1H3