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

Systemtic Name: O-methyl N-[2-(2-ethyl-5-nitro-imidazol-1-yl)ethyl]carbamothioate Openeye Name: O-methyl N-[2-(2-ethyl-5-nitro-imidazol-1-yl)ethyl]carbamothioate CAS Name: N-[2-(2-ethyl-5-nitro-1-imidazolyl)ethyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[2-(2-ethyl-5-nitroimidazol-1-yl)ethyl]carbamothioate Traditional Name: N-[2-(2-ethyl-5-nitro-imidazol-1-yl)ethyl]thiocarbamic acid O-methyl ester Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(N1CCNC(=S)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC=C(N1CCNC(=S)OC)[N+](=O)[O-]

InChI

InChI=1S/C9H14N4O3S/c1-3-7-11-6-8(13(14)15)12(7)5-4-10-9(17)16-2/h6H,3-5H2,1-2H3,(H,10,17)