2-[[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-methyl-4-(3-morpholinopropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-methyl-4-[3-(4-morpholinyl)propyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-methyl-4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-methyl-4-(3-morpholinopropyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CCCN2CCOCC2)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1CCCN2CCOCC2)SCC(=O)O

InChI

InChI=1S/C12H20N4O3S/c1-10-13-14-12(20-9-11(17)18)16(10)4-2-3-15-5-7-19-8-6-15/h2-9H2,1H3,(H,17,18)