N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-nitro-thiophene-3-carboxamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-nitro-thiophene-3-carboxamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-nitro-thiophene-3-carboxamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-nitro-thiophene-3-carboxamide Formula: C21H15FN4O3S MolecularWeight: 422.432203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)C4=CSC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)C4=CSC(=C4)[N+](=O)[O-]

InChI

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