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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CCNC(=O)C)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1CCNC(=O)C)SCC(=O)O

InChI

InChI=1S/C11H18N4O3S/c1-7(2)10-13-14-11(19-6-9(17)18)15(10)5-4-12-8(3)16/h7H,4-6H2,1-3H3,(H,12,16)(H,17,18)