4,7-bis[(2-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine

Systemtic Name: 4,7-bis[(2-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine Openeye Name: 4,7-bis[(2-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine CAS Name: 4,7-bis[(2-nitrophenyl)methylthio]-1H-imidazo[4,5-d]pyridazine IUPAC Name: 4,7-bis[(2-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-d]pyridazine Traditional Name: 4,7-bis[(2-nitrobenzyl)thio]-1H-imidazo[4,5-d]pyridazine Formula: C19H14N6O4S2 MolecularWeight: 454.48226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(C3=C2NC=N3)SCC4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(C3=C2NC=N3)SCC4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O4S2/c26-24(27)14-7-3-1-5-12(14)9-30-18-16-17(21-11-20-16)19(23-22-18)31-10-13-6-2-4-8-15(13)25(28)29/h1-8,11H,9-10H2,(H,20,21)