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

Systemtic Name: 3-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C8H14N4O2S MolecularWeight: 230.28736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCCC(=O)O

InChI

InChI=1S/C8H14N4O2S/c1-5(2)7-10-11-8(12(7)9)15-4-3-6(13)14/h5H,3-4,9H2,1-2H3,(H,13,14)