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

Systemtic Name: 4-[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]-N,N-bis(phenylmethyl)benzenesulfonamide Openeye Name: N,N-dibenzyl-4-[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: 4-[4-(4-bromophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]-N,N-bis(phenylmethyl)benzenesulfonamide IUPAC Name: N,N-dibenzyl-4-[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-dibenzyl-4-[4-(4-bromophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C30H27BrN4O2S2 MolecularWeight: 619.59498

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=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

CCSC1=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/C30H27BrN4O2S2/c1-2-38-30-33-32-29(35(30)27-17-15-26(31)16-18-27)25-13-19-28(20-14-25)39(36,37)34(21-23-9-5-3-6-10-23)22-24-11-7-4-8-12-24/h3-20H,2,21-22H2,1H3