methyl 2-[[4-ethyl-5-[(6-oxidanylidene-1-phenyl-pyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-ethyl-5-[(6-oxidanylidene-1-phenyl-pyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-ethyl-5-[(6-oxo-1-phenyl-pyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[(6-oxo-1-phenyl-3-pyridazinyl)oxymethyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-[(6-keto-1-phenyl-pyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)COC2=NN(C(=O)C=C2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)COC2=NN(C(=O)C=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N5O4S/c1-3-22-14(19-20-18(22)28-12-17(25)26-2)11-27-15-9-10-16(24)23(21-15)13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3