S-[1-(3-nitrophenyl)carbonylbenzimidazol-2-yl] 3-nitrobenzenecarbothioate

Systemtic Name: S-[1-(3-nitrophenyl)carbonylbenzimidazol-2-yl] 3-nitrobenzenecarbothioate Openeye Name: S-[1-(3-nitrobenzoyl)benzimidazol-2-yl] 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-[1-[(3-nitrophenyl)-oxomethyl]-2-benzimidazolyl] ester IUPAC Name: S-[1-(3-nitrobenzoyl)benzimidazol-2-yl] 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-[1-(3-nitrobenzoyl)benzimidazol-2-yl] ester Formula: C21H12N4O6S MolecularWeight: 448.40818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12N4O6S/c26-19(13-5-3-7-15(11-13)24(28)29)23-18-10-2-1-9-17(18)22-21(23)32-20(27)14-6-4-8-16(12-14)25(30)31/h1-12H