(2R)-1-phenoxy-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Systemtic Name: (2R)-1-phenoxy-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: (2R)-1-phenoxy-3-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol CAS Name: (2R)-1-phenoxy-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: (2R)-1-phenoxy-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: (2R)-1-phenoxy-3-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-2-ol Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(COC3=CC=CC=C3)O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC[C@@H](COC3=CC=CC=C3)O)C4=CC=NC=C4

InChI

InChI=1S/C22H20N4O2S/c27-19(15-28-20-9-5-2-6-10-20)16-29-22-25-24-21(17-11-13-23-14-12-17)26(22)18-7-3-1-4-8-18/h1-14,19,27H,15-16H2/t19-/m1/s1