7-[(4-nitrophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione

Systemtic Name: 7-[(4-nitrophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione Openeye Name: 7-[(4-nitrophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione CAS Name: 7-[(4-nitrophenyl)methylthio]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione IUPAC Name: 7-[(4-nitrophenyl)methylsulfanyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione Traditional Name: 7-[(4-nitrobenzyl)thio]-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione Formula: C12H9N5O2S2 MolecularWeight: 319.36216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C3C(=NC=N3)C(=S)NN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=C3C(=NC=N3)C(=S)NN2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S2/c18-17(19)8-3-1-7(2-4-8)5-21-12-10-9(13-6-14-10)11(20)15-16-12/h1-4,6,16H,5H2,(H,15,20)