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

Systemtic Name: ethyl 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanoate Openeye Name: ethyl 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanoate CAS Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanoate Traditional Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-3-methyl-butyric acid ethyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SC(C(C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SC(C(C)C)C(=O)OCC

InChI

InChI=1S/C19H27N3O3S/c1-6-14-8-10-15(11-9-14)25-12-16-20-21-19(22(16)5)26-17(13(3)4)18(23)24-7-2/h8-11,13,17H,6-7,12H2,1-5H3