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

Systemtic Name: methyl 4-[[4-ethyl-5-[(6-oxidanylidene-1-phenyl-pyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-ethyl-5-[(6-oxo-1-phenyl-pyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-ethyl-5-[(6-oxo-1-phenyl-3-pyridazinyl)oxymethyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-ethyl-5-[(6-keto-1-phenyl-pyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)COC3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)COC3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H23N5O4S/c1-3-28-20(15-33-21-13-14-22(30)29(27-21)19-7-5-4-6-8-19)25-26-24(28)34-16-17-9-11-18(12-10-17)23(31)32-2/h4-14H,3,15-16H2,1-2H3