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

Systemtic Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2CN3C(=S)N(C=N3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCCN2CN3C(=S)N(C=N3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H24N4O2S/c1-26-17-10-11-18(20(13-17)27-2)19-9-6-12-23(19)15-25-21(28)24(14-22-25)16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,19H,6,9,12,15H2,1-2H3/t19-/m1/s1