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

Systemtic Name: 3-[5-(cyanomethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(cyanomethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(cyanomethylthio)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(cyanomethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(cyanomethylthio)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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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)SCC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S2/c1-3-24(4-2)29(26,27)18-12-8-9-16(15-18)19-22-23-20(28-14-13-21)25(19)17-10-6-5-7-11-17/h5-12,15H,3-4,14H2,1-2H3