2-methyl-1-[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]ethyl]-5-nitro-imidazole

Systemtic Name: 2-methyl-1-[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]ethyl]-5-nitro-imidazole Openeye Name: 2-methyl-1-[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]ethyl]-5-nitro-imidazole CAS Name: 2-methyl-1-[2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]ethyl]-5-nitroimidazole IUPAC Name: 2-methyl-1-[2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]ethyl]-5-nitroimidazole Traditional Name: 2-methyl-1-[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]ethyl]-5-nitro-imidazole Formula: C12H16N6O4S MolecularWeight: 340.35824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O4S/c1-9-13-7-11(17(19)20)15(9)3-5-23-6-4-16-10(2)14-8-12(16)18(21)22/h7-8H,3-6H2,1-2H3