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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)CSCC(C(=O)O)N

Isomeric SMILES

CC1=NN=C(N1C)CSCC(C(=O)O)N

InChI

InChI=1S/C8H14N4O2S/c1-5-10-11-7(12(5)2)4-15-3-6(9)8(13)14/h6H,3-4,9H2,1-2H3,(H,13,14)