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

Systemtic Name: 2-[3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]acetic acid CAS Name: 2-[3-[2-(4-methoxyphenoxy)ethylthio]-5-propyl-1,2,4-triazol-4-yl]acetic acid IUPAC Name: 2-[3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]acetic acid Traditional Name: 2-[3-[2-(4-methoxyphenoxy)ethylthio]-5-propyl-1,2,4-triazol-4-yl]acetic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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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)