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

Systemtic Name: 5-cyano-2-(4-methoxyphenyl)-6-methyl-pyrimidine-4-thiolate Openeye Name: 5-cyano-2-(4-methoxyphenyl)-6-methyl-pyrimidine-4-thiolate CAS Name: 5-cyano-2-(4-methoxyphenyl)-6-methyl-4-pyrimidinethiolate IUPAC Name: 5-cyano-2-(4-methoxyphenyl)-6-methylpyrimidine-4-thiolate Traditional Name: 5-cyano-2-(4-methoxyphenyl)-6-methyl-pyrimidine-4-thiolate Formula: C13H10N3OS- MolecularWeight: 256.303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3OS/c1-8-11(7-14)13(18)16-12(15-8)9-3-5-10(17-2)6-4-9/h3-6H,1-2H3,(H,15,16,18)/p-1