5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]furan-2-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]furan-2-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]furan-2-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-furancarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]furan-2-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-[3-nitro-5-(p-tolylthio)phenyl]-2-furamide Formula: C26H20N2O7S MolecularWeight: 504.5112

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H20N2O7S/c1-16-2-6-21(7-3-16)36-22-11-17(10-18(12-22)28(30)31)27-26(29)24-9-5-20(35-24)14-32-19-4-8-23-25(13-19)34-15-33-23/h2-13H,14-15H2,1H3,(H,27,29)