6-[3-[2-(benzimidazol-1-ylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropylsulfanyl]-3-nitro-imidazo[1,2-b]pyridazine

Systemtic Name: 6-[3-[2-(benzimidazol-1-ylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropylsulfanyl]-3-nitro-imidazo[1,2-b]pyridazine Openeye Name: 6-[3-[[2-(benzimidazol-1-ylmethyl)-3-methyl-4-pyridyl]sulfanyl]propylsulfanyl]-3-nitro-imidazo[1,2-b]pyridazine CAS Name: 6-[3-[[2-(1-benzimidazolylmethyl)-3-methyl-4-pyridinyl]thio]propylthio]-3-nitroimidazo[1,2-b]pyridazine IUPAC Name: 6-[3-[2-(benzimidazol-1-ylmethyl)-3-methylpyridin-4-yl]sulfanylpropylsulfanyl]-3-nitroimidazo[1,2-b]pyridazine Traditional Name: 6-[3-[[2-(benzimidazol-1-ylmethyl)-3-methyl-4-pyridyl]thio]propylthio]-3-nitro-imidazo[1,2-b]pyridazine Formula: C23H21N7O2S2 MolecularWeight: 491.58854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CN2C=NC3=CC=CC=C32)SCCCSC4=NN5C(=NC=C5[N+](=O)[O-])C=C4

Isomeric SMILES

CC1=C(C=CN=C1CN2C=NC3=CC=CC=C32)SCCCSC4=NN5C(=NC=C5[N+](=O)[O-])C=C4

InChI

InChI=1S/C23H21N7O2S2/c1-16-18(14-28-15-26-17-5-2-3-6-19(17)28)24-10-9-20(16)33-11-4-12-34-22-8-7-21-25-13-23(30(31)32)29(21)27-22/h2-3,5-10,13,15H,4,11-12,14H2,1H3