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

Systemtic Name: 4,5-dicyclopropyl-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dicyclopropyl-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dicyclopropyl-2-[[2-(4-methoxyphenyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dicyclopropyl-2-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dicyclopropyl-2-[[2-(4-methoxyphenyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C20H26N4OS MolecularWeight: 370.51164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCN2CN3C(=S)N(C(=N3)C4CC4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCN2CN3C(=S)N(C(=N3)C4CC4)C5CC5

InChI

InChI=1S/C20H26N4OS/c1-25-17-10-6-14(7-11-17)18-3-2-12-22(18)13-23-20(26)24(16-8-9-16)19(21-23)15-4-5-15/h6-7,10-11,15-16,18H,2-5,8-9,12-13H2,1H3