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

Systemtic Name: 2-[[2-methyl-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]phenyl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[2-methyl-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]phenyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[2-methyl-3-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]phenyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[2-methyl-3-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]phenyl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[2-methyl-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]benzyl]thio]-1H-benzimidazole Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCCN2C(=NC=C2[N+](=O)[O-])C)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCCN2C(=NC=C2[N+](=O)[O-])C)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N5O2S2/c1-14-16(13-30-21-23-17-7-3-4-8-18(17)24-21)6-5-9-19(14)29-11-10-25-15(2)22-12-20(25)26(27)28/h3-9,12H,10-11,13H2,1-2H3,(H,23,24)