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

Systemtic Name: (2R)-1-(4-bromanylphenoxy)-3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: (2R)-1-(4-bromophenoxy)-3-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol CAS Name: (2R)-1-(4-bromophenoxy)-3-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-propanol IUPAC Name: (2R)-1-(4-bromophenoxy)-3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: (2R)-1-(4-bromophenoxy)-3-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propan-2-ol Formula: C22H19BrN4O2S MolecularWeight: 483.38086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4O2S/c23-17-8-10-20(11-9-17)29-14-19(28)15-30-22-26-25-21(16-5-4-12-24-13-16)27(22)18-6-2-1-3-7-18/h1-13,19,28H,14-15H2/t19-/m1/s1