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

Systemtic Name: 5-[(4-butan-2-ylphenoxy)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]furan-2-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-5-[(4-sec-butylphenoxy)methyl]furan-2-carboxamide CAS Name: 5-[(4-butan-2-ylphenoxy)methyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-2-furancarboxamide IUPAC Name: 5-[(4-butan-2-ylphenoxy)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]furan-2-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-5-[(4-sec-butylphenoxy)methyl]-2-furamide Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC(=CC(=C3)SC4=CC=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=CC(=CC(=C3)SC4=CC=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C29H28N2O5S/c1-4-20(3)21-7-9-24(10-8-21)35-18-25-11-14-28(36-25)29(32)30-22-15-23(31(33)34)17-27(16-22)37-26-12-5-19(2)6-13-26/h5-17,20H,4,18H2,1-3H3,(H,30,32)