N,N-diethyl-3-[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[4-phenyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 3-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(benzylthio)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S2/c1-3-28(4-2)33(30,31)23-17-11-14-21(18-23)24-26-27-25(29(24)22-15-9-6-10-16-22)32-19-20-12-7-5-8-13-20/h5-18H,3-4,19H2,1-2H3