N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide Formula: C18H21F2N3O3S MolecularWeight: 397.439446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)C)C

InChI

InChI=1S/C18H21F2N3O3S/c1-4-5-8-23-12(3)11(2)21-17(23)27-10-16(24)22-13-6-7-14-15(9-13)26-18(19,20)25-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,22,24)