O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-methylcarbamothioate

Systemtic Name: O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-methylcarbamothioate Openeye Name: O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C8H12N4O3S MolecularWeight: 244.27088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=S)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=S)NC)[N+](=O)[O-]

InChI

InChI=1S/C8H12N4O3S/c1-6-10-5-7(12(13)14)11(6)3-4-15-8(16)9-2/h5H,3-4H2,1-2H3,(H,9,16)