(2S)-3-methyl-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoic acid Openeye Name: (2S)-3-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-butanoic acid CAS Name: (2S)-3-methyl-2-[(1-methyl-5-tetrazolyl)thio]butanoic acid IUPAC Name: (2S)-3-methyl-2-(1-methyltetrazol-5-yl)sulfanylbutanoic acid Traditional Name: (2S)-3-methyl-2-[(1-methyltetrazol-5-yl)thio]butyric acid Formula: C7H12N4O2S MolecularWeight: 216.26078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NN=NN1C

Isomeric SMILES

CC(C)[C@@H](C(=O)O)SC1=NN=NN1C

InChI

InChI=1S/C7H12N4O2S/c1-4(2)5(6(12)13)14-7-8-9-10-11(7)3/h4-5H,1-3H3,(H,12,13)/t5-/m0/s1