4-[(4-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine

Systemtic Name: 4-[(4-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine Openeye Name: 4-[(4-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine CAS Name: 4-[(4-nitrophenyl)methylthio]-1H-imidazo[4,5-d]pyridazine IUPAC Name: 4-[(4-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine Traditional Name: 4-[(4-nitrobenzyl)thio]-1H-imidazo[4,5-d]pyridazine Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C3C(=CN=N2)NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=C3C(=CN=N2)NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S/c18-17(19)9-3-1-8(2-4-9)6-20-12-11-10(5-15-16-12)13-7-14-11/h1-5,7H,6H2,(H,13,14)