S-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] carbamothioate

Systemtic Name: S-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] carbamothioate Openeye Name: S-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] carbamothioate CAS Name: carbamothioic acid S-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: S-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] carbamothioate Traditional Name: thiocarbamic acid S-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C7H10N4O3S MolecularWeight: 230.2443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C7H10N4O3S/c1-5-9-4-6(11(13)14)10(5)2-3-15-7(8)12/h4H,2-3H2,1H3,(H2,8,12)