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

Systemtic Name: 4-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-N,N-bis(phenylmethyl)benzenesulfonamide Openeye Name: N,N-dibenzyl-4-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)benzenesulfonamide CAS Name: 4-[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]-N,N-bis(phenylmethyl)benzenesulfonamide IUPAC Name: N,N-dibenzyl-4-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)benzenesulfonamide Traditional Name: N,N-dibenzyl-4-[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]benzenesulfonamide Formula: C29H26N4O2S2 MolecularWeight: 526.67234

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NN=C(N1C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O2S2/c1-36-29-31-30-28(25-15-9-4-10-16-25)33(29)26-17-19-27(20-18-26)37(34,35)32(21-23-11-5-2-6-12-23)22-24-13-7-3-8-14-24/h2-20H,21-22H2,1H3