2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl N-(furan-2-ylcarbothioyl)carbamate

Systemtic Name: 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl N-(furan-2-ylcarbothioyl)carbamate Openeye Name: 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl N-(furan-2-carbothioyl)carbamate CAS Name: N-[2-furanyl(sulfanylidene)methyl]carbamic acid 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl ester IUPAC Name: 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl N-(furan-2-carbothioyl)carbamate Traditional Name: N-(furan-2-carbothioyl)carbamic acid 2-(2-methyl-4-nitro-1H-imidazol-3-ium-3-yl)ethyl ester Formula: C12H13N4O5S+ MolecularWeight: 325.32042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CN1)[N+](=O)[O-])CCOC(=O)NC(=S)C2=CC=CO2

Isomeric SMILES

CC1=[N+](C(=CN1)[N+](=O)[O-])CCOC(=O)NC(=S)C2=CC=CO2

InChI

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