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

Systemtic Name: ethyl 2-[[5-[(3-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanoate Openeye Name: ethyl 2-[[5-[(3-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanoate CAS Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(3-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanoate Traditional Name: 2-[[5-[(3-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-3-methyl-butyric acid ethyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)SC1=NN=C(N1C)COC2=CC=CC(=C2)OC

Isomeric SMILES

CCOC(=O)C(C(C)C)SC1=NN=C(N1C)COC2=CC=CC(=C2)OC

InChI

InChI=1S/C18H25N3O4S/c1-6-24-17(22)16(12(2)3)26-18-20-19-15(21(18)4)11-25-14-9-7-8-13(10-14)23-5/h7-10,12,16H,6,11H2,1-5H3