5-[(4-nitropyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide

Systemtic Name: 5-[(4-nitropyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide Openeye Name: 5-[(4-nitropyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide CAS Name: 5-[(4-nitro-1-pyrazolyl)methyl]-N-[2-(phenylthio)phenyl]-2-furancarboxamide IUPAC Name: 5-[(4-nitropyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide Traditional Name: 5-[(4-nitropyrazol-1-yl)methyl]-N-[2-(phenylthio)phenyl]-2-furamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=CC=C(O3)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=CC=C(O3)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c26-21(19-11-10-16(29-19)14-24-13-15(12-22-24)25(27)28)23-18-8-4-5-9-20(18)30-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,26)