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

Systemtic Name: (2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: (2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: (2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)thio]butanoate IUPAC Name: (2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: (2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)thio]butyrate Formula: C8H12N3O2S- MolecularWeight: 214.26478

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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)/p-1/t6-/m0/s1