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

Systemtic Name: N,N-diethyl-3-[4-phenyl-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-phenyl-5-[2-(2-pyridyl)ethylsulfanyl]-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[4-phenyl-5-[2-(2-pyridinyl)ethylthio]-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-phenyl-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-phenyl-5-[2-(2-pyridyl)ethylthio]-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C25H27N5O2S2 MolecularWeight: 493.64418

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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)SCCC4=CC=CC=N4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC4=CC=CC=N4

InChI

InChI=1S/C25H27N5O2S2/c1-3-29(4-2)34(31,32)23-15-10-11-20(19-23)24-27-28-25(30(24)22-13-6-5-7-14-22)33-18-16-21-12-8-9-17-26-21/h5-15,17,19H,3-4,16,18H2,1-2H3