3-[(E)-(3-ethoxycarbonyl-5-oxidanylidene-1-phenyl-pyrazolidin-4-ylidene)methyl]-N-oxidanyl-2-sulfanylidene-benzimidazol-3-ium-5-amine oxide

Systemtic Name: 3-[(E)-(3-ethoxycarbonyl-5-oxidanylidene-1-phenyl-pyrazolidin-4-ylidene)methyl]-N-oxidanyl-2-sulfanylidene-benzimidazol-3-ium-5-amine oxide Openeye Name: 3-[(E)-(3-ethoxycarbonyl-5-oxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-N-hydroxy-2-thioxo-benzimidazol-3-ium-5-amine oxide CAS Name: 3-[(E)-(3-ethoxycarbonyl-5-oxo-1-phenyl-4-pyrazolidinylidene)methyl]-N-hydroxy-2-sulfanylidene-5-benzimidazol-3-iumamine oxide IUPAC Name: 3-[(E)-(3-ethoxycarbonyl-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]-N-hydroxy-2-sulfanylidenebenzimidazol-3-ium-5-amine oxide Traditional Name: 3-[(E)-(3-carbethoxy-5-keto-1-phenyl-pyrazolidin-4-ylidene)methyl]-N-hydroxy-2-thioxo-benzimidazol-3-ium-5-amine oxide Formula: C20H18N5O5S+ MolecularWeight: 440.45242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1/C(=C\[N+]2=C3C=C(C=CC3=NC2=S)[NH+](O)[O-])/C(=O)N(N1)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O5S/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/h3-11,17,25,28H,2H2,1H3/p+1/b14-11+