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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCCC(=O)O

Isomeric SMILES

CC1=NN=C(N1N)SCCC(=O)O

InChI

InChI=1S/C6H10N4O2S/c1-4-8-9-6(10(4)7)13-3-2-5(11)12/h2-3,7H2,1H3,(H,11,12)