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

Systemtic Name: O-ethyl N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]carbamothioate Openeye Name: O-ethyl 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-ethyl ester IUPAC Name: O-ethyl 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-ethyl ester Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NCCN1C(=NC=C1[N+](=O)[O-])C

Isomeric SMILES

CCOC(=S)NCCN1C(=NC=C1[N+](=O)[O-])C

InChI

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