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

Systemtic Name: 3-[[4-azanyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[(4-amino-5-isobutyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[[4-amino-5-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-amino-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[(4-amino-5-isobutyl-1,2,4-triazol-3-yl)thio]propionate Formula: C9H15N4O2S- MolecularWeight: 243.306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1N)SCCC(=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(N1N)SCCC(=O)[O-]

InChI

InChI=1S/C9H16N4O2S/c1-6(2)5-7-11-12-9(13(7)10)16-4-3-8(14)15/h6H,3-5,10H2,1-2H3,(H,14,15)/p-1