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

Systemtic Name: N,N-diethyl-3-[5-[(2-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-(o-tolylmethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[5-[(2-methylphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-[(2-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-[(2-methylbenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C26H28N4O2S2 MolecularWeight: 492.65612

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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=C4C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4C

InChI

InChI=1S/C26H28N4O2S2/c1-4-29(5-2)34(31,32)24-17-11-14-21(18-24)25-27-28-26(30(25)23-15-7-6-8-16-23)33-19-22-13-10-9-12-20(22)3/h6-18H,4-5,19H2,1-3H3