4-[4-ethyl-5-[[2-(phenylsulfonylmethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline

Systemtic Name: 4-[4-ethyl-5-[[2-(phenylsulfonylmethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-quinoline Openeye Name: 4-[5-[[2-(benzenesulfonylmethyl)phenyl]methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-phenyl-quinoline CAS Name: 4-[5-[[2-(benzenesulfonylmethyl)phenyl]methylthio]-4-ethyl-1,2,4-triazol-3-yl]-2-phenylquinoline IUPAC Name: 4-[5-[[2-(benzenesulfonylmethyl)phenyl]methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-phenylquinoline Traditional Name: 4-[5-[[2-(besylmethyl)benzyl]thio]-4-ethyl-1,2,4-triazol-3-yl]-2-phenyl-quinoline Formula: C33H28N4O2S2 MolecularWeight: 576.73102

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C3)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C3)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C33H28N4O2S2/c1-2-37-32(29-21-31(24-13-5-3-6-14-24)34-30-20-12-11-19-28(29)30)35-36-33(37)40-22-25-15-9-10-16-26(25)23-41(38,39)27-17-7-4-8-18-27/h3-21H,2,22-23H2,1H3