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

Systemtic Name: 1-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]piperazine Openeye Name: 1-[3-(2-furylmethylsulfanyl)-4-nitro-phenyl]piperazine CAS Name: 1-[3-(2-furanylmethylthio)-4-nitrophenyl]piperazine IUPAC Name: 1-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]piperazine Traditional Name: 1-[3-(2-furfurylthio)-4-nitro-phenyl]piperazine Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3

Isomeric SMILES

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3

InChI

InChI=1S/C15H17N3O3S/c19-18(20)14-4-3-12(17-7-5-16-6-8-17)10-15(14)22-11-13-2-1-9-21-13/h1-4,9-10,16H,5-8,11H2