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

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

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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=C(C=CC(=C4)C)C(C)C

Isomeric SMILES

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

InChI

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