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

Systemtic Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-3-10-4-6-11(7-5-10)20-8-12-15-16-14(17(12)2)21-9-13(18)19/h4-7H,3,8-9H2,1-2H3,(H,18,19)/p-1