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

Systemtic Name: 3-[5-(2-cyanoethylsulfanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(2-cyanoethylsulfanyl)-4-isobutyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(2-cyanoethylthio)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(2-cyanoethylsulfanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(2-cyanoethylthio)-4-isobutyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C19H27N5O2S2 MolecularWeight: 421.57998

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC(C)C)SCCC#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC(C)C)SCCC#N

InChI

InChI=1S/C19H27N5O2S2/c1-5-23(6-2)28(25,26)17-10-7-9-16(13-17)18-21-22-19(27-12-8-11-20)24(18)14-15(3)4/h7,9-10,13,15H,5-6,8,12,14H2,1-4H3