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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C22H15FN4O4S MolecularWeight: 450.442303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC(=CC=C5)F)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NN(C(=N3)C4=CC=CS4)C5=CC(=CC=C5)F)OCO2

InChI

InChI=1S/C22H15FN4O4S/c1-12(28)15-9-17-18(31-11-30-17)10-16(15)24-22(29)20-25-21(19-6-3-7-32-19)27(26-20)14-5-2-4-13(23)8-14/h2-10H,11H2,1H3,(H,24,29)