(5E)-3-(4-isocyanophenyl)-2-methylsulfanyl-5-(oxidanylmethylidene)imidazol-4-one

Systemtic Name: (5E)-3-(4-isocyanophenyl)-2-methylsulfanyl-5-(oxidanylmethylidene)imidazol-4-one Openeye Name: (5E)-5-(hydroxymethylene)-3-(4-isocyanophenyl)-2-methylsulfanyl-imidazol-4-one CAS Name: (5E)-5-(hydroxymethylidene)-3-(4-isocyanophenyl)-2-(methylthio)-4-imidazolone IUPAC Name: (5E)-5-(hydroxymethylidene)-3-(4-isocyanophenyl)-2-methylsulfanylimidazol-4-one Traditional Name: (5E)-5-(hydroxymethylene)-3-(4-isocyanophenyl)-2-(methylthio)-2-imidazolin-4-one Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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