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

Systemtic Name: ethyl 4-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 3-oxo-4-[[3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]butanoate CAS Name: 4-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[[3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]butyric acid ethyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-3-25-17(24)10-14(23)11-26-16-9-8-15-19-20-18(22(15)21-16)13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3