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

Systemtic Name: (2R)-1-phenoxy-3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol Openeye Name: (2R)-1-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxy-propan-2-ol CAS Name: (2R)-1-phenoxy-3-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-propanol IUPAC Name: (2R)-1-phenoxy-3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol Traditional Name: (2R)-1-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-3-phenoxy-propan-2-ol Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(COC3=CC=CC=C3)O)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SC[C@@H](COC3=CC=CC=C3)O)C4=CN=CC=C4

InChI

InChI=1S/C25H26N4O2S/c1-18(2)22-12-6-7-13-23(22)29-24(19-9-8-14-26-15-19)27-28-25(29)32-17-20(30)16-31-21-10-4-3-5-11-21/h3-15,18,20,30H,16-17H2,1-2H3/t20-/m1/s1