3-[[4-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[4-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(4-pyridyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-[[(2R)-2-oxolanyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(4-pyridyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]thio]propionate Formula: C15H17N4O3S- MolecularWeight: 333.38548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCCC(=O)[O-])C3=CC=NC=C3

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=NN=C2SCCC(=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C15H18N4O3S/c20-13(21)5-9-23-15-18-17-14(11-3-6-16-7-4-11)19(15)10-12-2-1-8-22-12/h3-4,6-7,12H,1-2,5,8-10H2,(H,20,21)/p-1/t12-/m1/s1