N-methylsulfanyl-5-(6-nitrocyclohexa-1,5-dien-1-yl)-2,5-diazabicyclo[4.1.0]heptan-7-imine

Systemtic Name: N-methylsulfanyl-5-(6-nitrocyclohexa-1,5-dien-1-yl)-2,5-diazabicyclo[4.1.0]heptan-7-imine Openeye Name: N-methylsulfanyl-5-(6-nitrocyclohexa-1,5-dien-1-yl)-2,5-diazabicyclo[4.1.0]heptan-7-imine CAS Name: (NZ)-N-[5-(6-nitro-1-cyclohexa-1,5-dienyl)-2,5-diazabicyclo[4.1.0]heptan-7-ylidene]methanesulfenamide IUPAC Name: N-methylsulfanyl-5-(6-nitrocyclohexa-1,5-dien-1-yl)-2,5-diazabicyclo[4.1.0]heptan-7-imine Traditional Name: (Z)-(methylthio)-[5-(6-nitrocyclohexa-1,5-dien-1-yl)-2,5-diazabicyclo[4.1.0]heptan-7-ylidene]amine Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CSN=C1C2C1N(CCN2)C3=CCCC=C3[N+](=O)[O-]

Isomeric SMILES

CS/N=C\1/C2C1N(CCN2)C3=CCCC=C3[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O2S/c1-19-14-11-10-12(11)15(7-6-13-10)8-4-2-3-5-9(8)16(17)18/h4-5,10,12-13H,2-3,6-7H2,1H3/b14-11-