[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C17H12BrN3O5S MolecularWeight: 450.26328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H12BrN3O5S/c18-11-3-1-10(2-4-11)15(22)8-26-16(23)9-27-17-19-13-6-5-12(21(24)25)7-14(13)20-17/h1-7H,8-9H2,(H,19,20)