S-[1-(4-chloranyl-3-nitro-phenyl)carbonylbenzimidazol-2-yl] 4-chloranyl-3-nitro-benzenecarbothioate

Systemtic Name: S-[1-(4-chloranyl-3-nitro-phenyl)carbonylbenzimidazol-2-yl] 4-chloranyl-3-nitro-benzenecarbothioate Openeye Name: S-[1-(4-chloro-3-nitro-benzoyl)benzimidazol-2-yl] 4-chloro-3-nitro-benzenecarbothioate CAS Name: 4-chloro-3-nitrobenzenecarbothioic acid S-[1-[(4-chloro-3-nitrophenyl)-oxomethyl]-2-benzimidazolyl] ester IUPAC Name: S-[1-(4-chloro-3-nitrobenzoyl)benzimidazol-2-yl] 4-chloro-3-nitrobenzenecarbothioate Traditional Name: 4-chloro-3-nitro-thiobenzoic acid S-[1-(4-chloro-3-nitro-benzoyl)benzimidazol-2-yl] ester Formula: C21H10Cl2N4O6S MolecularWeight: 517.2983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])SC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])SC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H10Cl2N4O6S/c22-13-7-5-11(9-17(13)26(30)31)19(28)25-16-4-2-1-3-15(16)24-21(25)34-20(29)12-6-8-14(23)18(10-12)27(32)33/h1-10H