2-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)propanoic acid

Systemtic Name: 2-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)propanoic acid Openeye Name: 2-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)propanoic acid CAS Name: 2-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]propanoic acid IUPAC Name: 2-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)propanoic acid Traditional Name: 2-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]propionic acid Formula: C6H10N4O2S MolecularWeight: 202.2342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=NC(=N1)SC)N

Isomeric SMILES

CC(C(=O)O)N1C(=NC(=N1)SC)N

InChI

InChI=1S/C6H10N4O2S/c1-3(4(11)12)10-5(7)8-6(9-10)13-2/h3H,1-2H3,(H,11,12)(H2,7,8,9)