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

Systemtic Name: 5,6-dimethyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1H-benzimidazole Openeye Name: 5,6-dimethyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1H-benzimidazole CAS Name: 5,6-dimethyl-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]-1H-benzimidazole IUPAC Name: 5,6-dimethyl-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]-1H-benzimidazole Traditional Name: 5,6-dimethyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]-1H-benzimidazole Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SCCN3C(=NC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCCN3C(=NC=C3[N+](=O)[O-])C

InChI

InChI=1S/C15H17N5O2S/c1-9-6-12-13(7-10(9)2)18-15(17-12)23-5-4-19-11(3)16-8-14(19)20(21)22/h6-8H,4-5H2,1-3H3,(H,17,18)