6-[2-[3-(benzimidazol-1-ylmethyl)-2-methyl-phenyl]sulfanylethylsulfanyl]-3-nitro-imidazo[1,2-b]pyridazine

Systemtic Name: 6-[2-[3-(benzimidazol-1-ylmethyl)-2-methyl-phenyl]sulfanylethylsulfanyl]-3-nitro-imidazo[1,2-b]pyridazine Openeye Name: 6-[2-[3-(benzimidazol-1-ylmethyl)-2-methyl-phenyl]sulfanylethylsulfanyl]-3-nitro-imidazo[1,2-b]pyridazine CAS Name: 6-[2-[[3-(1-benzimidazolylmethyl)-2-methylphenyl]thio]ethylthio]-3-nitroimidazo[1,2-b]pyridazine IUPAC Name: 6-[2-[3-(benzimidazol-1-ylmethyl)-2-methylphenyl]sulfanylethylsulfanyl]-3-nitroimidazo[1,2-b]pyridazine Traditional Name: 6-[2-[[3-(benzimidazol-1-ylmethyl)-2-methyl-phenyl]thio]ethylthio]-3-nitro-imidazo[1,2-b]pyridazine Formula: C23H20N6O2S2 MolecularWeight: 476.5739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCSC2=NN3C(=NC=C3[N+](=O)[O-])C=C2)CN4C=NC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=CC=C1SCCSC2=NN3C(=NC=C3[N+](=O)[O-])C=C2)CN4C=NC5=CC=CC=C54

InChI

InChI=1S/C23H20N6O2S2/c1-16-17(14-27-15-25-18-6-2-3-7-19(18)27)5-4-8-20(16)32-11-12-33-22-10-9-21-24-13-23(29(30)31)28(21)26-22/h2-10,13,15H,11-12,14H2,1H3