4-tert-butyl-N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[1-[4-(5-chloro-2-methyl-phenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[1-[4-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]benzenesulfonamide Formula: C35H37ClN4O2S2 MolecularWeight: 645.27688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)C)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)C)C(CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C35H37ClN4O2S2/c1-24-10-9-13-27(20-24)23-43-34-38-37-33(40(34)32-22-29(36)17-14-25(32)2)31(21-26-11-7-6-8-12-26)39-44(41,42)30-18-15-28(16-19-30)35(3,4)5/h6-20,22,31,39H,21,23H2,1-5H3