2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C23H28N4O2S MolecularWeight: 424.55902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCCC2C3=C(C=CC(=C3)OC)OC)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c1-25-22(14-17-8-5-4-6-9-17)24-27(23(25)30)16-26-13-7-10-20(26)19-15-18(28-2)11-12-21(19)29-3/h4-6,8-9,11-12,15,20H,7,10,13-14,16H2,1-3H3/t20-/m1/s1