N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(5-nitrofuran-2-yl)methanimine

Systemtic Name: N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(5-nitrofuran-2-yl)methanimine Openeye Name: N-[3-(2-furyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(5-nitro-2-furyl)methanimine CAS Name: N-[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-4-yl]-1-(5-nitro-2-furanyl)methanimine IUPAC Name: N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(5-nitrofuran-2-yl)methanimine Traditional Name: (E)-[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-4-yl]-[(5-nitro-2-furyl)methylene]amine Formula: C12H9N5O4S MolecularWeight: 319.29596

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1N=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CSC1=NN=C(N1/N=C/C2=CC=C(O2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C12H9N5O4S/c1-22-12-15-14-11(9-3-2-6-20-9)16(12)13-7-8-4-5-10(21-8)17(18)19/h2-7H,1H3/b13-7+