2-methyl-5-nitro-imidazole-1-carbothioic S-acid

Systemtic Name: 2-methyl-5-nitro-imidazole-1-carbothioic S-acid Openeye Name: 2-methyl-5-nitro-imidazole-1-carbothioic S-acid CAS Name: 2-methyl-5-nitro-1-imidazolecarbothioic S-acid IUPAC Name: 2-methyl-5-nitroimidazole-1-carbothioic S-acid Traditional Name: 2-methyl-5-nitro-imidazole-1-carbothioic S-acid Formula: C5H5N3O3S MolecularWeight: 187.1765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H5N3O3S/c1-3-6-2-4(8(10)11)7(3)5(9)12/h2H,1H3,(H,9,12)