ethyl 4-[(6-nitro-2-sulfanylidene-benzimidazol-1-ium-1-yl)methylidene]-5-oxidanylidene-1-phenyl-pyrazolidine-3-carboxylate

Systemtic Name: ethyl 4-[(6-nitro-2-sulfanylidene-benzimidazol-1-ium-1-yl)methylidene]-5-oxidanylidene-1-phenyl-pyrazolidine-3-carboxylate Openeye Name: ethyl 4-[(6-nitro-2-thioxo-benzimidazol-1-ium-1-yl)methylene]-5-oxo-1-phenyl-pyrazolidine-3-carboxylate CAS Name: 4-[(6-nitro-2-sulfanylidene-1-benzimidazol-1-iumyl)methylidene]-5-oxo-1-phenyl-3-pyrazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-nitro-2-sulfanylidenebenzimidazol-1-ium-1-yl)methylidene]-5-oxo-1-phenylpyrazolidine-3-carboxylate Traditional Name: 5-keto-4-[(6-nitro-2-thioxo-benzimidazol-1-ium-1-yl)methylene]-1-phenyl-pyrazolidine-3-carboxylic acid ethyl ester Formula: C20H16N5O5S+ MolecularWeight: 438.43654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C[N+]2=C3C=C(C=CC3=NC2=S)[N+](=O)[O-])C(=O)N(N1)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C(=C[N+]2=C3C=C(C=CC3=NC2=S)[N+](=O)[O-])C(=O)N(N1)C4=CC=CC=C4

InChI

InChI=1S/C20H15N5O5S/c1-2-30-19(27)17-14(18(26)24(22-17)12-6-4-3-5-7-12)11-23-16-10-13(25(28)29)8-9-15(16)21-20(23)31/h3-11,17H,2H2,1H3/p+1