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

Systemtic Name: 4-(4-chlorophenyl)-3-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-chlorophenyl)-3-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonyl-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-chlorophenyl)-3-[[4,5-dimethoxy-2-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-chlorophenyl)-3-[(4,5-dimethoxy-2-pyrrolidin-1-ylsulfonylphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorophenyl)-3-(4,5-dimethoxy-2-pyrrolidinosulfonyl-benzyl)-1H-1,2,4-triazole-5-thione Formula: C21H23ClN4O4S2 MolecularWeight: 495.01472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4S2/c1-29-17-11-14(19(13-18(17)30-2)32(27,28)25-9-3-4-10-25)12-20-23-24-21(31)26(20)16-7-5-15(22)6-8-16/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,31)