5-[(3-fluoranyl-4-pyrrolidin-1-ium-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Systemtic Name: 5-[(3-fluoranyl-4-pyrrolidin-1-ium-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Openeye Name: 5-[(3-fluoro-4-pyrrolidin-1-ium-1-yl-phenyl)methylene]-2-thioxo-thiazol-4-olate CAS Name: 5-[[3-fluoro-4-(1-pyrrolidin-1-iumyl)phenyl]methylidene]-2-sulfanylidene-4-thiazololate IUPAC Name: 5-[(3-fluoro-4-pyrrolidin-1-ium-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Traditional Name: 5-(3-fluoro-4-pyrrolidin-1-ium-1-yl-benzylidene)-2-thioxo-3-thiazolin-4-olate Formula: C14H13FN2OS2 MolecularWeight: 308.394223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2=C(C=C(C=C2)C=C3C(=NC(=S)S3)[O-])F

Isomeric SMILES

C1CC[NH+](C1)C2=C(C=C(C=C2)C=C3C(=NC(=S)S3)[O-])F

InChI

InChI=1S/C14H13FN2OS2/c15-10-7-9(8-12-13(18)16-14(19)20-12)3-4-11(10)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6H2,(H,16,18,19)