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

Systemtic Name: 4-[[4-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-(4-pyridyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-[[(2R)-2-oxolanyl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[4-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4-pyridyl)-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C20H19N4O3S- MolecularWeight: 395.45486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)[O-])C4=CC=NC=C4

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C20H20N4O3S/c25-19(26)16-5-3-14(4-6-16)13-28-20-23-22-18(15-7-9-21-10-8-15)24(20)12-17-2-1-11-27-17/h3-10,17H,1-2,11-13H2,(H,25,26)/p-1/t17-/m1/s1