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

Systemtic Name: ethyl 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)OCC)C2=CC=CC=C2OC

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)OCC)C2=CC=CC=C2OC

InChI

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