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

Systemtic Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-phenyl-2-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C22H27N4OS+ MolecularWeight: 395.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=S)N(C(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=S)N(C(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H26N4OS/c1-3-27-19-13-11-17(12-14-19)20-10-7-15-25(20)16-26-22(28)24(2)21(23-26)18-8-5-4-6-9-18/h4-6,8-9,11-14,20H,3,7,10,15-16H2,1-2H3/p+1/t20-/m1/s1