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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide Openeye Name: 5-[(4-nitrophenoxy)methyl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]furan-2-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-5-[(4-nitrophenoxy)methyl]-2-furancarboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide Traditional Name: 5-[(4-nitrophenoxy)methyl]-N-[3-nitro-5-(p-tolylthio)phenyl]-2-furamide Formula: C25H19N3O7S MolecularWeight: 505.49926

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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)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O7S/c1-16-2-9-22(10-3-16)36-23-13-17(12-19(14-23)28(32)33)26-25(29)24-11-8-21(35-24)15-34-20-6-4-18(5-7-20)27(30)31/h2-14H,15H2,1H3,(H,26,29)