(2S)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: (2S)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: (2S)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2S)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: (2S)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]propionate Formula: C7H10N3O2S- MolecularWeight: 200.2382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC(C)C(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C)S[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C7H11N3O2S/c1-4(6(11)12)13-7-9-8-5(2)10(7)3/h4H,1-3H3,(H,11,12)/p-1/t4-/m0/s1