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

Systemtic Name: ethyl 2-[[5-(2-ethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(2-ethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-ethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-ethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-o-phenetyl-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)C2=CC=CC=C2OCC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC)C2=CC=CC=C2OCC

InChI

InChI=1S/C16H21N3O3S/c1-4-19-15(12-9-7-8-10-13(12)21-5-2)17-18-16(19)23-11-14(20)22-6-3/h7-10H,4-6,11H2,1-3H3