2-[4-[(2-butyl-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]-N-cyano-benzenesulfonamide

Systemtic Name: 2-[4-[(2-butyl-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]-N-cyano-benzenesulfonamide Openeye Name: 2-[4-[(2-butyl-4-methylsulfanyl-imidazol-1-yl)methyl]phenyl]-N-cyano-benzenesulfonamide CAS Name: 2-[4-[[2-butyl-4-(methylthio)-1-imidazolyl]methyl]phenyl]-N-cyanobenzenesulfonamide IUPAC Name: 2-[4-[(2-butyl-4-methylsulfanylimidazol-1-yl)methyl]phenyl]-N-cyanobenzenesulfonamide Traditional Name: 2-[4-[[2-butyl-4-(methylthio)imidazol-1-yl]methyl]phenyl]-N-cyano-benzenesulfonamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC#N)SC

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC#N)SC

InChI

InChI=1S/C22H24N4O2S2/c1-3-4-9-21-25-22(29-2)15-26(21)14-17-10-12-18(13-11-17)19-7-5-6-8-20(19)30(27,28)24-16-23/h5-8,10-13,15,24H,3-4,9,14H2,1-2H3