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

Systemtic Name: ethyl 2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-4-19-14(10-12-6-8-13(21-3)9-7-12)17-18-16(19)23-11-15(20)22-5-2/h6-9H,4-5,10-11H2,1-3H3