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

Systemtic Name: methyl 2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-p-anisyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C15H19N3O3S/c1-4-18-13(9-11-5-7-12(20-2)8-6-11)16-17-15(18)22-10-14(19)21-3/h5-8H,4,9-10H2,1-3H3