1-(2-methyl-5-nitro-imidazol-1-yl)ethyl carbamimidothioate

Systemtic Name: 1-(2-methyl-5-nitro-imidazol-1-yl)ethyl carbamimidothioate Openeye Name: 2-[1-(2-methyl-5-nitro-imidazol-1-yl)ethyl]isothiourea CAS Name: carbamimidothioic acid 1-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 1-(2-methyl-5-nitroimidazol-1-yl)ethyl carbamimidothioate Traditional Name: 2-[1-(2-methyl-5-nitro-imidazol-1-yl)ethyl]isothiourea Formula: C7H11N5O2S MolecularWeight: 229.25954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1C(C)SC(=N)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1C(C)SC(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C7H11N5O2S/c1-4-10-3-6(12(13)14)11(4)5(2)15-7(8)9/h3,5H,1-2H3,(H3,8,9)