O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-phenylcarbamothioate

Systemtic Name: O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-phenylcarbamothioate Openeye Name: O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=S)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=S)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-10-14-9-12(17(18)19)16(10)7-8-20-13(21)15-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,21)