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

Systemtic Name: 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[2-(2,4-dimethoxyphenyl)pyrrolidino]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-24-21(16-8-5-4-6-9-16)23-26(22(24)29)15-25-13-7-10-19(25)18-12-11-17(27-2)14-20(18)28-3/h4-6,8-9,11-12,14,19H,7,10,13,15H2,1-3H3