ethyl 2-[2-[(E)-(carbamothioylhydrazinylidene)methyl]-5-nitro-imidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(E)-(carbamothioylhydrazinylidene)methyl]-5-nitro-imidazol-1-yl]ethanoate Openeye Name: ethyl 2-[2-[(E)-(carbamothioylhydrazono)methyl]-5-nitro-imidazol-1-yl]acetate CAS Name: 2-[2-[(E)-(carbamothioylhydrazinylidene)methyl]-5-nitro-1-imidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(E)-(carbamothioylhydrazinylidene)methyl]-5-nitroimidazol-1-yl]acetate Traditional Name: 2-[5-nitro-2-[(E)-(thiocarbamoylhydrazono)methyl]imidazol-1-yl]acetic acid ethyl ester Formula: C9H12N6O4S MolecularWeight: 300.29438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=CN=C1C=NNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C(=CN=C1/C=N/NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C9H12N6O4S/c1-2-19-8(16)5-14-6(3-12-13-9(10)20)11-4-7(14)15(17)18/h3-4H,2,5H2,1H3,(H3,10,13,20)/b12-3+