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

Systemtic Name: ethyl 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-5-20-14(12-23-13-10-8-7-9-11-13)18-19-16(20)24-17(3,4)15(21)22-6-2/h7-11H,5-6,12H2,1-4H3