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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CCC2=CC=C(C=C2)OC)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CCC2=CC=C(C=C2)OC)SCC(=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-10-15-16-14(21-9-13(18)19)17(10)8-7-11-3-5-12(20-2)6-4-11/h3-6H,7-9H2,1-2H3,(H,18,19)/p-1