5-isocyano-2-methylsulfanyl-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 5-isocyano-2-methylsulfanyl-6-phenyl-1H-pyrimidin-4-one Openeye Name: 5-isocyano-2-methylsulfanyl-6-phenyl-1H-pyrimidin-4-one CAS Name: 5-isocyano-2-(methylthio)-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 5-isocyano-2-methylsulfanyl-6-phenyl-1H-pyrimidin-4-one Traditional Name: 5-isocyano-2-(methylthio)-6-phenyl-1H-pyrimidin-4-one Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)[N+]#[C-]

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)[N+]#[C-]

InChI

InChI=1S/C12H9N3OS/c1-13-10-9(8-6-4-3-5-7-8)14-12(17-2)15-11(10)16/h3-7H,2H3,(H,14,15,16)