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

Systemtic Name: 3-[5-(1-cyanoethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(1-cyanoethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(1-cyanoethylthio)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(1-cyanoethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-(1-cyanoethylthio)-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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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)SC(C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S2/c1-4-25(5-2)30(27,28)19-13-9-10-17(14-19)20-23-24-21(29-16(3)15-22)26(20)18-11-7-6-8-12-18/h6-14,16H,4-5H2,1-3H3