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

Systemtic Name: 3-[5-(cyanomethylsulfanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(cyanomethylsulfanyl)-4-isobutyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(cyanomethylthio)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(cyanomethylsulfanyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(cyanomethylthio)-4-isobutyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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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)SCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S2/c1-5-22(6-2)27(24,25)16-9-7-8-15(12-16)17-20-21-18(26-11-10-19)23(17)13-14(3)4/h7-9,12,14H,5-6,11,13H2,1-4H3