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

Systemtic Name: 2-[[5-cyclopropyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(2-morpholinoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-[2-(4-morpholinyl)ethyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-(2-morpholinoethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCN3CCOCC3)SCC(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2CCN3CCOCC3)SCC(=O)O

InChI

InChI=1S/C13H20N4O3S/c18-11(19)9-21-13-15-14-12(10-1-2-10)17(13)4-3-16-5-7-20-8-6-16/h10H,1-9H2,(H,18,19)