2-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propylsulfanyl]-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]propylthio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-[3-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]propylthio]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C23H26N6O2S3 MolecularWeight: 514.68654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSCCN4C(=NC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCSCCN4C(=NC=C4[N+](=O)[O-])C

InChI

InChI=1S/C23H26N6O2S3/c1-16-20(15-34-23-26-18-6-3-4-7-19(18)27-23)24-9-8-21(16)33-12-5-11-32-13-10-28-17(2)25-14-22(28)29(30)31/h3-4,6-9,14H,5,10-13,15H2,1-2H3,(H,26,27)