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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-3-4-12-15-16-14(21-9-13(18)19)17(12)10-5-7-11(20-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,18,19)/p-1