5-cyano-6-methyl-2-phenyl-pyrimidine-4-thiolate

Systemtic Name: 5-cyano-6-methyl-2-phenyl-pyrimidine-4-thiolate Openeye Name: 5-cyano-6-methyl-2-phenyl-pyrimidine-4-thiolate CAS Name: 5-cyano-6-methyl-2-phenyl-4-pyrimidinethiolate IUPAC Name: 5-cyano-6-methyl-2-phenylpyrimidine-4-thiolate Traditional Name: 5-cyano-6-methyl-2-phenyl-pyrimidine-4-thiolate Formula: C12H8N3S- MolecularWeight: 226.27702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)[S-])C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)[S-])C#N

InChI

InChI=1S/C12H9N3S/c1-8-10(7-13)12(16)15-11(14-8)9-5-3-2-4-6-9/h2-6H,1H3,(H,14,15,16)/p-1