2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H9N5O2S MolecularWeight: 251.26506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2N)SCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2N)SCC(=O)O

InChI

InChI=1S/C9H9N5O2S/c10-14-8(6-2-1-3-11-4-6)12-13-9(14)17-5-7(15)16/h1-4H,5,10H2,(H,15,16)