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

Systemtic Name: 4-[5-(cyanomethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[5-(cyanomethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[5-(cyanomethylthio)-4-ethyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[5-(cyanomethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[5-(cyanomethylthio)-4-ethyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC#N)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCN1C(=NN=C1SCC#N)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C16H21N5O2S2/c1-4-20(5-2)25(22,23)14-9-7-13(8-10-14)15-18-19-16(21(15)6-3)24-12-11-17/h7-10H,4-6,12H2,1-3H3