3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C10H11N3O2S2 MolecularWeight: 269.34324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)O)C2=CC=CS2

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)O)C2=CC=CS2

InChI

InChI=1S/C10H11N3O2S2/c1-13-9(7-3-2-5-16-7)11-12-10(13)17-6-4-8(14)15/h2-3,5H,4,6H2,1H3,(H,14,15)