N-(4-fluoranyl-3-nitro-phenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(4-fluoro-3-nitro-phenyl)-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(4-fluoro-3-nitrophenyl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(4-fluoro-3-nitrophenyl)-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(4-fluoro-3-nitro-phenyl)-3-(2-thienyl)pyrazole-4-carboxamide Formula: C21H15FN4O3S MolecularWeight: 422.432203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H15FN4O3S/c22-17-9-8-15(11-18(17)26(28)29)23-21(27)16-13-25(12-14-5-2-1-3-6-14)24-20(16)19-7-4-10-30-19/h1-11,13H,12H2,(H,23,27)