4-methylsulfanyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridazino[4,5-d]pyridazin-1-amine

Systemtic Name: 4-methylsulfanyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridazino[4,5-d]pyridazin-1-amine Openeye Name: 4-methylsulfanyl-N-[(E)-(5-nitro-2-furyl)methyleneamino]pyridazino[4,5-d]pyridazin-1-amine CAS Name: 4-(methylthio)-N-[(E)-(5-nitro-2-furanyl)methylideneamino]-1-pyridazino[4,5-d]pyridazinamine IUPAC Name: 4-methylsulfanyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridazino[4,5-d]pyridazin-1-amine Traditional Name: [4-(methylthio)pyridazino[4,5-d]pyridazin-1-yl]-[(E)-(5-nitro-2-furyl)methyleneamino]amine Formula: C12H9N7O3S MolecularWeight: 331.30996

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(C2=CN=NC=C21)NN=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(C2=CN=NC=C21)N/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N7O3S/c1-23-12-9-6-14-13-5-8(9)11(17-18-12)16-15-4-7-2-3-10(22-7)19(20)21/h2-6H,1H3,(H,16,17)/b15-4+