5-[(4-nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine

Systemtic Name: 5-[(4-nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine Openeye Name: 5-[(4-nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine CAS Name: 5-[(4-nitrophenyl)methyl]-7-[(4-nitrophenyl)methylthio]imidazo[4,5-d]pyridazine IUPAC Name: 5-[(4-nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine Traditional Name: 5-(4-nitrobenzyl)-7-[(4-nitrobenzyl)thio]imidazo[4,5-d]pyridazine Formula: C19H14N6O4S MolecularWeight: 422.41726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C3C(=NC=N3)C(=N2)SCC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C3C(=NC=N3)C(=N2)SCC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O4S/c26-24(27)15-5-1-13(2-6-15)9-23-10-17-18(21-12-20-17)19(22-23)30-11-14-3-7-16(8-4-14)25(28)29/h1-8,10,12H,9,11H2