O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-(furan-3-ylcarbonyl)carbamothioate

Systemtic Name: O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-(furan-3-ylcarbonyl)carbamothioate Openeye Name: O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-(furan-3-carbonyl)carbamothioate CAS Name: N-[3-furanyl(oxo)methyl]carbamothioic acid O-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-(furan-3-carbonyl)carbamothioate Traditional Name: N-(3-furoyl)thiocarbamic acid O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=S)NC(=O)C2=COC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=S)NC(=O)C2=COC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O5S/c1-8-13-6-10(16(18)19)15(8)3-5-21-12(22)14-11(17)9-2-4-20-7-9/h2,4,6-7H,3,5H2,1H3,(H,14,17,22)