4-phenyl-5-(2-phenylmethoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-phenyl-5-(2-phenylmethoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-benzyloxyphenyl)-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-phenyl-5-(2-phenylmethoxyphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-phenyl-5-(2-phenylmethoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2-benzoxyphenyl)-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C26H27N4OS+ MolecularWeight: 443.58378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

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