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

Systemtic Name: methyl 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)OC)COC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)OC)COC2=CC=CC=C2

InChI

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