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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COCCN1C2=NN=C(N2C(C)C)SCC(=O)O

Isomeric SMILES

CCC1COCCN1C2=NN=C(N2C(C)C)SCC(=O)O

InChI

InChI=1S/C13H22N4O3S/c1-4-10-7-20-6-5-16(10)12-14-15-13(17(12)9(2)3)21-8-11(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)