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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=S)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(=S)OC)[N+](=O)[O-]

InChI

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