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

Systemtic Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C7H11N3O2S MolecularWeight: 201.24614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11N3O2S/c1-5-8-9-7(10(5)2)13-4-3-6(11)12/h3-4H2,1-2H3,(H,11,12)