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

Systemtic Name: 3-[5-(cyanomethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(cyanomethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(cyanomethylthio)-4-phenethyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(cyanomethylsulfanyl)-4-phenethyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(cyanomethylthio)-4-phenethyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S2/c1-3-26(4-2)31(28,29)20-12-8-11-19(17-20)21-24-25-22(30-16-14-23)27(21)15-13-18-9-6-5-7-10-18/h5-12,17H,3-4,13,15-16H2,1-2H3