1-[4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[2-(2-furylmethylsulfanyl)ethylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[2-(2-furanylmethylthio)ethylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[2-(2-furfurylthio)ethylamino]-3-nitro-phenyl]ethanone Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCSCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCSCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O4S/c1-11(18)12-4-5-14(15(9-12)17(19)20)16-6-8-22-10-13-3-2-7-21-13/h2-5,7,9,16H,6,8,10H2,1H3