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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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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)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O4S/c1-13(27)15-10-17-18(30-12-29-17)11-16(15)23-22(28)20-24-21(19-8-5-9-31-19)26(25-20)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,23,28)