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

Systemtic Name: 2-[[4-azanyl-5-(propan-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(isopropylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-[(propan-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(propan-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-[(isopropylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C8H14N4O2S2 MolecularWeight: 262.35236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=NN=C(N1N)SCC(=O)O

Isomeric SMILES

CC(C)SCC1=NN=C(N1N)SCC(=O)O

InChI

InChI=1S/C8H14N4O2S2/c1-5(2)15-3-6-10-11-8(12(6)9)16-4-7(13)14/h5H,3-4,9H2,1-2H3,(H,13,14)