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

Systemtic Name: ethyl 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(N1CC)COC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(N1CC)COC2=CC=CC=C2

InChI

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