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

Systemtic Name: 1-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]pyrrolidine Openeye Name: 1-[3-(2-furylmethylsulfanyl)-4-nitro-phenyl]pyrrolidine CAS Name: 1-[3-(2-furanylmethylthio)-4-nitrophenyl]pyrrolidine IUPAC Name: 1-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]pyrrolidine Traditional Name: 1-[3-(2-furfurylthio)-4-nitro-phenyl]pyrrolidine Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3

InChI

InChI=1S/C15H16N2O3S/c18-17(19)14-6-5-12(16-7-1-2-8-16)10-15(14)21-11-13-4-3-9-20-13/h3-6,9-10H,1-2,7-8,11H2