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

Systemtic Name: ethyl 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(N1C)COC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(N1C)COC2=CC=CC=C2

InChI

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