N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxamide Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CN=C(N3C4=CC=C(C=C4)F)SC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CN=C(N3C4=CC=C(C=C4)F)SC)OCO2

InChI

InChI=1S/C20H16FN3O4S/c1-11(25)14-7-17-18(28-10-27-17)8-15(14)23-19(26)16-9-22-20(29-2)24(16)13-5-3-12(21)4-6-13/h3-9H,10H2,1-2H3,(H,23,26)