3-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[[4,5-dimethoxy-2-(1-pyrrolidinylsulfonyl)phenyl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonylphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4,5-dimethoxy-2-pyrrolidinosulfonyl-benzyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2=NNC(=S)N2C3=CC=CC=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2=NNC(=S)N2C3=CC=CC=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C21H24N4O4S2/c1-28-17-12-15(13-20-22-23-21(30)25(20)16-8-4-3-5-9-16)19(14-18(17)29-2)31(26,27)24-10-6-7-11-24/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3,(H,23,30)