6-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1H-benzimidazole Openeye Name: 6-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1H-benzimidazole CAS Name: 6-methyl-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]-1H-benzimidazole IUPAC Name: 6-methyl-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]-1H-benzimidazole Traditional Name: 6-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]-1H-benzimidazole Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCCN3C(=NC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCCN3C(=NC=C3[N+](=O)[O-])C

InChI

InChI=1S/C14H15N5O2S/c1-9-3-4-11-12(7-9)17-14(16-11)22-6-5-18-10(2)15-8-13(18)19(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)