3-[(4-azanyl-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-azanyl-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-amino-5-pentan-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[[4-amino-5-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C10H18N4O2S MolecularWeight: 258.34052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(N1N)SCCC(=O)O

Isomeric SMILES

CCC(CC)C1=NN=C(N1N)SCCC(=O)O

InChI

InChI=1S/C10H18N4O2S/c1-3-7(4-2)9-12-13-10(14(9)11)17-6-5-8(15)16/h7H,3-6,11H2,1-2H3,(H,15,16)