(2R)-2-[[4-azanyl-5-(propan-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: (2R)-2-[[4-azanyl-5-(propan-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2R)-2-[[4-amino-5-(isopropylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[4-amino-5-[(propan-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2R)-2-[[4-amino-5-(propan-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[4-amino-5-[(isopropylthio)methyl]-1,2,4-triazol-3-yl]thio]propionate Formula: C9H15N4O2S2- MolecularWeight: 275.371

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=NN=C(N1N)SC(C)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NN=C(N1N)CSC(C)C

InChI

InChI=1S/C9H16N4O2S2/c1-5(2)16-4-7-11-12-9(13(7)10)17-6(3)8(14)15/h5-6H,4,10H2,1-3H3,(H,14,15)/p-1/t6-/m1/s1