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

Systemtic Name: N,N-diethyl-3-(5-phenacylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)benzenesulfonamide Openeye Name: N,N-diethyl-3-(5-phenacylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)benzenesulfonamide CAS Name: N,N-diethyl-3-[5-(phenacylthio)-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-(5-phenacylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-(phenacylthio)-4-phenethyl-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C28H30N4O3S2 MolecularWeight: 534.6928

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O3S2/c1-3-31(4-2)37(34,35)25-17-11-16-24(20-25)27-29-30-28(32(27)19-18-22-12-7-5-8-13-22)36-21-26(33)23-14-9-6-10-15-23/h5-17,20H,3-4,18-19,21H2,1-2H3