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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=CN=C1C=NNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN1C(=CN=C1/C=N/NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C9H12N6O4S/c1-6(16)19-3-2-14-7(4-12-13-9(10)20)11-5-8(14)15(17)18/h4-5H,2-3H2,1H3,(H3,10,13,20)/b12-4+