N-(2-methoxy-4-nitro-phenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-[[3-(trifluoromethyl)-1-pyrazolyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide Formula: C17H13F3N4O4S MolecularWeight: 426.36973

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=CS2)CN3C=CC(=N3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=CS2)CN3C=CC(=N3)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O4S/c1-28-13-7-11(24(26)27)2-3-12(13)21-16(25)14-6-10(9-29-14)8-23-5-4-15(22-23)17(18,19)20/h2-7,9H,8H2,1H3,(H,21,25)