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

Systemtic Name: (5Z)-5-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Openeye Name: (5Z)-5-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylene]-2-thioxo-thiazol-4-olate CAS Name: (5Z)-5-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-4-thiazololate IUPAC Name: (5Z)-5-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Traditional Name: (5Z)-5-[5-nitro-2-(3-phenoxypropoxy)benzylidene]-2-thioxo-3-thiazolin-4-olate Formula: C19H15N2O5S2- MolecularWeight: 415.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=NC(=S)S3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)[N+](=O)[O-])/C=C\3/C(=NC(=S)S3)[O-]

InChI

InChI=1S/C19H16N2O5S2/c22-18-17(28-19(27)20-18)12-13-11-14(21(23)24)7-8-16(13)26-10-4-9-25-15-5-2-1-3-6-15/h1-3,5-8,11-12H,4,9-10H2,(H,20,22,27)/p-1/b17-12-