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

Systemtic Name: 2-[[4-(4-aminocarbonylphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-carbamoylphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-carbamoylphenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-carbamoylphenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-carbamoylphenyl)-5-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H13N4O3S- MolecularWeight: 305.33232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=C(C=C2)C(=O)N)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=CC=C(C=C2)C(=O)N)SCC(=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-2-10-15-16-13(21-7-11(18)19)17(10)9-5-3-8(4-6-9)12(14)20/h3-6H,2,7H2,1H3,(H2,14,20)(H,18,19)/p-1