ethyl (2E)-N-carbamothioyl-1-methyl-5-nitro-imidazole-2-carbohydrazonate

Systemtic Name: ethyl (2E)-N-carbamothioyl-1-methyl-5-nitro-imidazole-2-carbohydrazonate Openeye Name: ethyl (2E)-N-carbamothioyl-1-methyl-5-nitro-imidazole-2-carbohydrazonate CAS Name: (2E)-N-carbamothioyl-1-methyl-5-nitro-2-imidazolecarbohydrazonic acid ethyl ester IUPAC Name: ethyl (2E)-N-carbamothioyl-1-methyl-5-nitroimidazole-2-carbohydrazonate Traditional Name: (2E)-1-methyl-5-nitro-N-thiocarbamoyl-imidazole-2-carbohydrazonic acid ethyl ester Formula: C8H12N6O3S MolecularWeight: 272.28428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=NNC(=S)N)C1=NC=C(N1C)[N+](=O)[O-]

Isomeric SMILES

CCO/C(=N/NC(=S)N)/C1=NC=C(N1C)[N+](=O)[O-]

InChI

InChI=1S/C8H12N6O3S/c1-3-17-7(11-12-8(9)18)6-10-4-5(13(6)2)14(15)16/h4H,3H2,1-2H3,(H3,9,12,18)/b11-7+