2-[[4-(2-acetamidoethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(2-acetamidoethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-acetamidoethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-acetamidoethyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-acetamidoethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-acetamidoethyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H18N4O3S MolecularWeight: 286.35062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CCNC(=O)C)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1CCNC(=O)C)SCC(=O)O

InChI

InChI=1S/C11H18N4O3S/c1-3-4-9-13-14-11(19-7-10(17)18)15(9)6-5-12-8(2)16/h3-7H2,1-2H3,(H,12,16)(H,17,18)