sodium (E)-[1-(4-isocyanophenyl)-2-methylsulfanyl-5-oxidanylidene-imidazol-4-ylidene]methanolate

Systemtic Name: sodium (E)-[1-(4-isocyanophenyl)-2-methylsulfanyl-5-oxidanylidene-imidazol-4-ylidene]methanolate Openeye Name: sodium (E)-[1-(4-isocyanophenyl)-2-methylsulfanyl-5-oxo-imidazol-4-ylidene]methanolate CAS Name: sodium (E)-[1-(4-isocyanophenyl)-2-(methylthio)-5-oxo-4-imidazolylidene]methanolate IUPAC Name: sodium (E)-[1-(4-isocyanophenyl)-2-methylsulfanyl-5-oxoimidazol-4-ylidene]methanolate Traditional Name: sodium (E)-[1-(4-isocyanophenyl)-5-keto-2-(methylthio)-2-imidazolin-4-ylidene]methanolate Formula: C12H8N3NaO2S MolecularWeight: 281.26559

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C[O-])C(=O)N1C2=CC=C(C=C2)[N+]#[C-].[Na+]

Isomeric SMILES

CSC1=N/C(=C/[O-])/C(=O)N1C2=CC=C(C=C2)[N+]#[C-].[Na+]

InChI

InChI=1S/C12H9N3O2S.Na/c1-13-8-3-5-9(6-4-8)15-11(17)10(7-16)14-12(15)18-2;/h3-7,16H,2H3;/q;+1/p-1/b10-7+;