(2R)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: (2R)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: (2R)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2R)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: (2R)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propionate Formula: C8H12N3O2S- MolecularWeight: 214.26478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C)C(=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)S[C@H](C)C(=O)[O-]

InChI

InChI=1S/C8H13N3O2S/c1-3-4-6-9-8(11-10-6)14-5(2)7(12)13/h5H,3-4H2,1-2H3,(H,12,13)(H,9,10,11)/p-1/t5-/m1/s1