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

Systemtic Name: N,N-diethyl-3-[5-phenacylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 3-(4-benzyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-3-[5-(phenacylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-benzyl-5-(phenacylthio)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C27H28N4O3S2 MolecularWeight: 520.66622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O3S2/c1-3-30(4-2)36(33,34)24-17-11-16-23(18-24)26-28-29-27(31(26)19-21-12-7-5-8-13-21)35-20-25(32)22-14-9-6-10-15-22/h5-18H,3-4,19-20H2,1-2H3