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

Systemtic Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]propanoic acid IUPAC Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]propionic acid Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)CSCCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C)CSCCC(=O)O

InChI

InChI=1S/C8H13N3O2S/c1-6-9-10-7(11(6)2)5-14-4-3-8(12)13/h3-5H2,1-2H3,(H,12,13)