(5E)-5-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Systemtic Name: (5E)-5-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Openeye Name: (5E)-5-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylene]-2-thioxo-thiazol-4-olate CAS Name: (5E)-5-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-4-thiazololate IUPAC Name: (5E)-5-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Traditional Name: (5E)-5-[5-nitro-2-(2-phenoxyethoxy)benzylidene]-2-thioxo-3-thiazolin-4-olate Formula: C18H13N2O5S2- MolecularWeight: 401.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=NC(=S)S3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)[N+](=O)[O-])/C=C/3\C(=NC(=S)S3)[O-]

InChI

InChI=1S/C18H14N2O5S2/c21-17-16(27-18(26)19-17)11-12-10-13(20(22)23)6-7-15(12)25-9-8-24-14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H,19,21,26)/p-1/b16-11+