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

Systemtic Name: 4-(4-chlorophenyl)-3-[(4,5-dimethoxy-2-piperidin-1-ylsulfonyl-phenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-chlorophenyl)-3-[[4,5-dimethoxy-2-(1-piperidylsulfonyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-chlorophenyl)-3-[[4,5-dimethoxy-2-(1-piperidinylsulfonyl)phenyl]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-chlorophenyl)-3-[(4,5-dimethoxy-2-piperidin-1-ylsulfonylphenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorophenyl)-3-(4,5-dimethoxy-2-piperidinosulfonyl-benzyl)-1H-1,2,4-triazole-5-thione Formula: C22H25ClN4O4S2 MolecularWeight: 509.0413

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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)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2=NNC(=S)N2C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCCCC4)OC

InChI

InChI=1S/C22H25ClN4O4S2/c1-30-18-12-15(13-21-24-25-22(32)27(21)17-8-6-16(23)7-9-17)20(14-19(18)31-2)33(28,29)26-10-4-3-5-11-26/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,25,32)