N,N-diethyl-3-(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide

Systemtic Name: N,N-diethyl-3-(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide Openeye Name: N,N-diethyl-3-(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide CAS Name: N,N-diethyl-3-[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3S2/c1-3-29(4-2)35(32,33)23-17-11-14-21(18-23)25-27-28-26(30(25)22-15-9-6-10-16-22)34-19-24(31)20-12-7-5-8-13-20/h5-18H,3-4,19H2,1-2H3