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

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2S2/c1-6-23(7-2)28(25,26)17-10-8-9-16(11-17)18-21-22-19(27-15(5)12-20)24(18)13-14(3)4/h8-11,14-15H,6-7,13H2,1-5H3