N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-[2-(2-furanylmethylthio)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: 2-(2-furfurylthio)ethyl-(7-nitrobenzofurazan-4-yl)amine Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCCNC2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CSCCNC2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S/c18-17(19)11-4-3-10(12-13(11)16-21-15-12)14-5-7-22-8-9-2-1-6-20-9/h1-4,6,14H,5,7-8H2