N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-5-[(4-nitro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-5-[(4-nitropyrazol-1-yl)methyl]-2-furamide Formula: C22H17N5O6S MolecularWeight: 479.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O6S/c1-14-2-5-19(6-3-14)34-20-9-15(8-16(10-20)26(29)30)24-22(28)21-7-4-18(33-21)13-25-12-17(11-23-25)27(31)32/h2-12H,13H2,1H3,(H,24,28)