N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2,4-dinitro-aniline

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2,4-dinitro-aniline Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-2,4-dinitro-aniline CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2,4-dinitroaniline IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[2-(2-furfurylthio)ethyl]amine Formula: C13H13N3O5S MolecularWeight: 323.32442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CSCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c17-15(18)10-3-4-12(13(8-10)16(19)20)14-5-7-22-9-11-2-1-6-21-11/h1-4,6,8,14H,5,7,9H2