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

Systemtic Name: 3-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]propionate Formula: C8H13N4O2S- MolecularWeight: 229.27942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCCC(=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCCC(=O)[O-]

InChI

InChI=1S/C8H14N4O2S/c1-5(2)7-10-11-8(12(7)9)15-4-3-6(13)14/h5H,3-4,9H2,1-2H3,(H,13,14)/p-1