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

Systemtic Name: 3-[(E)-(3-ethoxycarbonyl-5-oxidanylidene-1-phenyl-pyrazolidin-4-ylidene)methyl]-N-oxidanyl-2-sulfanylidene-benzimidazol-5-imine oxide Openeye Name: 3-[(E)-(3-ethoxycarbonyl-5-oxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-N-hydroxy-2-thioxo-benzimidazol-5-imine oxide CAS Name: 3-[(E)-(3-ethoxycarbonyl-5-oxo-1-phenyl-4-pyrazolidinylidene)methyl]-N-hydroxy-2-sulfanylidene-5-benzimidazolimine oxide IUPAC Name: 3-[(E)-(3-ethoxycarbonyl-5-oxo-1-phenylpyrazolidin-4-ylidene)methyl]-N-hydroxy-2-sulfanylidenebenzimidazol-5-imine oxide Traditional Name: 3-[(E)-(3-carbethoxy-5-keto-1-phenyl-pyrazolidin-4-ylidene)methyl]-N-hydroxy-2-thioxo-benzimidazol-5-imine oxide Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=CN2C3=CC(=[N+](O)[O-])C=CC3=NC2=S)C(=O)N(N1)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1/C(=C\N2C3=CC(=[N+](O)[O-])C=CC3=NC2=S)/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/h3-11,17,22H,2H2,1H3,(H,28,29)/b14-11+