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

Systemtic Name: 2-[[3-methyl-4-[3-(2-methyl-5-nitro-imidazol-1-yl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-[3-(2-methyl-5-nitro-imidazol-1-yl)propylsulfanyl]-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[3-(2-methyl-5-nitro-1-imidazolyl)propylthio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-[3-(2-methyl-5-nitroimidazol-1-yl)propylsulfanyl]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-[3-(2-methyl-5-nitro-imidazol-1-yl)propylthio]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN4C(=NC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN4C(=NC=C4[N+](=O)[O-])C

InChI

InChI=1S/C21H22N6O2S2/c1-14-18(13-31-21-24-16-6-3-4-7-17(16)25-21)22-9-8-19(14)30-11-5-10-26-15(2)23-12-20(26)27(28)29/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,24,25)