2,3,5,6-tetramethyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzenesulfonamide

Systemtic Name: 2,3,5,6-tetramethyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzenesulfonamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2,3,5,6-tetramethyl-benzenesulfonamide CAS Name: 2,3,5,6-tetramethyl-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]benzenesulfonamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-2,3,5,6-tetramethyl-benzenesulfonamide Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=NC(=NN2)SCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=NC(=NN2)SCC3=CC=CC=C3)C)C

InChI

InChI=1S/C19H22N4O2S2/c1-12-10-13(2)15(4)17(14(12)3)27(24,25)23-18-20-19(22-21-18)26-11-16-8-6-5-7-9-16/h5-10H,11H2,1-4H3,(H2,20,21,22,23)