3-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-[(4-chlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C20H23ClN4O2S2 MolecularWeight: 451.00522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4O2S2/c1-4-25(5-2)29(26,27)18-8-6-7-16(13-18)19-22-23-20(24(19)3)28-14-15-9-11-17(21)12-10-15/h6-13H,4-5,14H2,1-3H3