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

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

Click to see the large picture

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

InChI

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