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

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

CCOC(=O)C(C)(C)SC1=NN=C(N1C)COC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NN=C(N1C)COC2=CC=CC=C2

InChI

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