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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)OCO2

InChI

InChI=1S/C23H17N3O4S/c1-14(27)16-10-19-20(30-13-29-19)11-18(16)24-23(28)17-12-26(15-6-3-2-4-7-15)25-22(17)21-8-5-9-31-21/h2-12H,13H2,1H3,(H,24,28)