2-(furan-2-ylmethylsulfanyl)-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)-1-(3-nitrophenyl)ethanone Openeye Name: 2-(2-furylmethylsulfanyl)-1-(3-nitrophenyl)ethanone CAS Name: 2-(2-furanylmethylthio)-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(furan-2-ylmethylsulfanyl)-1-(3-nitrophenyl)ethanone Traditional Name: 2-(2-furfurylthio)-1-(3-nitrophenyl)ethanone Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSCC2=CC=CO2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSCC2=CC=CO2

InChI

InChI=1S/C13H11NO4S/c15-13(9-19-8-12-5-2-6-18-12)10-3-1-4-11(7-10)14(16)17/h1-7H,8-9H2