N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-5-(1-pyrrolidinylmethyl)-2-furancarboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-5-(pyrrolidinomethyl)-2-furamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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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)CN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4CCCC4

InChI

InChI=1S/C23H23N3O4S/c1-16-4-7-20(8-5-16)31-21-13-17(12-18(14-21)26(28)29)24-23(27)22-9-6-19(30-22)15-25-10-2-3-11-25/h4-9,12-14H,2-3,10-11,15H2,1H3,(H,24,27)