5-(phenoxymethyl)-4-phenyl-2-[[(3R)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(phenoxymethyl)-4-phenyl-2-[[(3R)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(phenoxymethyl)-4-phenyl-2-[[(3R)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(phenoxymethyl)-4-phenyl-2-[[(3R)-3-phenyl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(phenoxymethyl)-4-phenyl-2-[[(3R)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(phenoxymethyl)-4-phenyl-2-[[(3R)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C26H27N4OS+ MolecularWeight: 443.58378

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)COC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@H]1C2=CC=CC=C2)CN3C(=S)N(C(=N3)COC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4OS/c32-26-29(20-28-17-16-22(18-28)21-10-4-1-5-11-21)27-25(19-31-24-14-8-3-9-15-24)30(26)23-12-6-2-7-13-23/h1-15,22H,16-20H2/p+1/t22-/m0/s1