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

Systemtic Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C15H18N3O3S- MolecularWeight: 320.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCC(=O)[O-]

InChI

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