O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-(2,4-dichlorophenyl)carbonylcarbamothioate

Systemtic Name: O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-(2,4-dichlorophenyl)carbonylcarbamothioate Openeye Name: O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] N-(2,4-dichlorobenzoyl)carbamothioate CAS Name: N-[(2,4-dichlorophenyl)-oxomethyl]carbamothioic acid O-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-(2,4-dichlorobenzoyl)carbamothioate Traditional Name: N-(2,4-dichlorobenzoyl)thiocarbamic acid O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C14H12Cl2N4O4S MolecularWeight: 403.24048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12Cl2N4O4S/c1-8-17-7-12(20(22)23)19(8)4-5-24-14(25)18-13(21)10-3-2-9(15)6-11(10)16/h2-3,6-7H,4-5H2,1H3,(H,18,21,25)