N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-5-nitro-pentan-1-imine

Systemtic Name: N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-5-nitro-pentan-1-imine Openeye Name: N-[3-(2-furyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-5-nitro-pentan-1-imine CAS Name: N-[3-(2-furanyl)-5-(methylthio)-1,2,4-triazol-4-yl]-5-nitro-1-pentanimine IUPAC Name: N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-5-nitropentan-1-imine Traditional Name: (E)-[3-(2-furyl)-5-(methylthio)-1,2,4-triazol-4-yl]-(5-nitropentylidene)amine Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1N=CCCCC[N+](=O)[O-])C2=CC=CO2

Isomeric SMILES

CSC1=NN=C(N1/N=C/CCCC[N+](=O)[O-])C2=CC=CO2

InChI

InChI=1S/C12H15N5O3S/c1-21-12-15-14-11(10-6-5-9-20-10)17(12)13-7-3-2-4-8-16(18)19/h5-7,9H,2-4,8H2,1H3/b13-7+