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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N4O2S2/c1-36-29-31-30-28(33(29)26-15-9-4-10-16-26)25-17-19-27(20-18-25)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