4-[4-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-N,N-bis(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-[4-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-N,N-bis(phenylmethyl)benzenesulfonamide Openeye Name: N,N-dibenzyl-4-[4-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: 4-[4-(4-bromophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]-N,N-bis(phenylmethyl)benzenesulfonamide IUPAC Name: N,N-dibenzyl-4-[4-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-dibenzyl-4-[4-(4-bromophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C29H25BrN4O2S2 MolecularWeight: 605.5684

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H25BrN4O2S2/c1-37-29-32-31-28(34(29)26-16-14-25(30)15-17-26)24-12-18-27(19-13-24)38(35,36)33(20-22-8-4-2-5-9-22)21-23-10-6-3-7-11-23/h2-19H,20-21H2,1H3