1-(4-phenylphenoxy)-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol

Systemtic Name: 1-(4-phenylphenoxy)-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol Openeye Name: 1-(4-phenylphenoxy)-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol CAS Name: 1-(4-phenylphenoxy)-3-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]-2-propanol IUPAC Name: 1-(4-phenylphenoxy)-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol Traditional Name: 1-(4-phenylphenoxy)-3-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]propan-2-ol Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)C5=CC=CC=C5)O

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C28H30N4O2S/c33-25(20-34-26-15-13-23(14-16-26)22-9-3-1-4-10-22)21-35-28-30-29-27(19-31-17-7-8-18-31)32(28)24-11-5-2-6-12-24/h1-6,9-16,25,33H,7-8,17-21H2