N-butyl-2-[[2-phenyl-5-(phenylsulfonyl)-1H-imidazol-4-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[2-phenyl-5-(phenylsulfonyl)-1H-imidazol-4-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]thio]-N-butylacetamide IUPAC Name: 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[(5-besyl-2-phenyl-1H-imidazol-4-yl)thio]-N-butyl-acetamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=C(NC(=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=C(NC(=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S2/c1-2-3-14-22-18(25)15-28-20-21(29(26,27)17-12-8-5-9-13-17)24-19(23-20)16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H,22,25)(H,23,24)