2-[3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[2-(4-methoxyphenoxy)ethylthio]-5-propyl-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[2-(4-methoxyphenoxy)ethylthio]-5-propyl-1,2,4-triazol-4-yl]acetate Formula: C16H20N3O4S- MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)[O-])SCCOC2=CC=C(C=C2)OC

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)[O-])SCCOC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21N3O4S/c1-3-4-14-17-18-16(19(14)11-15(20)21)24-10-9-23-13-7-5-12(22-2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)/p-1