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

Systemtic Name: 2-[[5-(3-ethylmorpholin-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(3-ethylmorpholin-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(3-ethyl-4-morpholinyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(3-ethylmorpholin-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(3-ethylmorpholino)-4-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)O)N2CCOCC2CC

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)O)N2CCOCC2CC

InChI

InChI=1S/C13H22N4O3S/c1-3-5-17-12(14-15-13(17)21-9-11(18)19)16-6-7-20-8-10(16)4-2/h10H,3-9H2,1-2H3,(H,18,19)