N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[1-(3-fluorophenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[1-(3-fluorophenyl)imidazol-2-yl]thio]acetamide Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=CN3C4=CC(=CC=C4)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=CN3C4=CC(=CC=C4)F)OCO2

InChI

InChI=1S/C20H16FN3O4S/c1-12(25)15-8-17-18(28-11-27-17)9-16(15)23-19(26)10-29-20-22-5-6-24(20)14-4-2-3-13(21)7-14/h2-9H,10-11H2,1H3,(H,23,26)