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

Systemtic Name: 2-[[4-(2-acetamidoethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-acetamidoethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-acetamidoethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-acetamidoethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-acetamidoethyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H16N4O3S MolecularWeight: 284.33474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C(=NN=C1SCC(=O)O)C2CC2

Isomeric SMILES

CC(=O)NCCN1C(=NN=C1SCC(=O)O)C2CC2

InChI

InChI=1S/C11H16N4O3S/c1-7(16)12-4-5-15-10(8-2-3-8)13-14-11(15)19-6-9(17)18/h8H,2-6H2,1H3,(H,12,16)(H,17,18)