(2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid Openeye Name: (2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid CAS Name: (2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)thio]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid Traditional Name: (2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)thio]butyric acid Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NN=CN1C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)SC1=NN=CN1C

InChI

InChI=1S/C8H13N3O2S/c1-5(2)6(7(12)13)14-8-10-9-4-11(8)3/h4-6H,1-3H3,(H,12,13)/t6-/m0/s1