(2S)-3-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanoic acid

Systemtic Name: (2S)-3-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanoic acid Openeye Name: (2S)-3-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanoic acid CAS Name: (2S)-3-methyl-2-(1H-1,2,4-triazol-5-ylthio)butanoic acid IUPAC Name: (2S)-3-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)butanoic acid Traditional Name: (2S)-3-methyl-2-(1H-1,2,4-triazol-5-ylthio)butyric acid Formula: C7H11N3O2S MolecularWeight: 201.24614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NC=NN1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)SC1=NC=NN1

InChI

InChI=1S/C7H11N3O2S/c1-4(2)5(6(11)12)13-7-8-3-9-10-7/h3-5H,1-2H3,(H,11,12)(H,8,9,10)/t5-/m0/s1