2-(4-chlorophenyl)-5-cyano-6-methyl-pyrimidine-4-thiolate

Systemtic Name: 2-(4-chlorophenyl)-5-cyano-6-methyl-pyrimidine-4-thiolate Openeye Name: 2-(4-chlorophenyl)-5-cyano-6-methyl-pyrimidine-4-thiolate CAS Name: 2-(4-chlorophenyl)-5-cyano-6-methyl-4-pyrimidinethiolate IUPAC Name: 2-(4-chlorophenyl)-5-cyano-6-methylpyrimidine-4-thiolate Traditional Name: 2-(4-chlorophenyl)-5-cyano-6-methyl-pyrimidine-4-thiolate Formula: C12H7ClN3S- MolecularWeight: 260.72208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClN3S/c1-7-10(6-14)12(17)16-11(15-7)8-2-4-9(13)5-3-8/h2-5H,1H3,(H,15,16,17)/p-1