ethyl 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanoate

Systemtic Name: ethyl 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanoate Openeye Name: ethyl 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanoate CAS Name: 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanoate Traditional Name: 2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3-methyl-butyric acid ethyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C(C)C)C(=O)OCC)COC2=CC=CC(=C2)OC

Isomeric SMILES

CCN1C(=NN=C1SC(C(C)C)C(=O)OCC)COC2=CC=CC(=C2)OC

InChI

InChI=1S/C19H27N3O4S/c1-6-22-16(12-26-15-10-8-9-14(11-15)24-5)20-21-19(22)27-17(13(3)4)18(23)25-7-2/h8-11,13,17H,6-7,12H2,1-5H3