ethyl 3-cyano-6-methyl-2-sulfanylidene-1H-pyridine-4-carboxylate; 6-(trifluoromethyl)-1H-pyrimidine-2-thione

Systemtic Name: ethyl 3-cyano-6-methyl-2-sulfanylidene-1H-pyridine-4-carboxylate; 6-(trifluoromethyl)-1H-pyrimidine-2-thione Openeye Name: ethyl 3-cyano-6-methyl-2-thioxo-1H-pyridine-4-carboxylate; 6-(trifluoromethyl)-1H-pyrimidine-2-thione CAS Name: 3-cyano-6-methyl-2-sulfanylidene-1H-pyridine-4-carboxylic acid ethyl ester; 6-(trifluoromethyl)-1H-pyrimidine-2-thione IUPAC Name: ethyl 3-cyano-6-methyl-2-sulfanylidene-1H-pyridine-4-carboxylate; 6-(trifluoromethyl)-1H-pyrimidine-2-thione Traditional Name: 3-cyano-6-methyl-2-thioxo-1H-pyridine-4-carboxylic acid ethyl ester; 6-(trifluoromethyl)-1H-pyrimidine-2-thione Formula: C15H13F3N4O2S2 MolecularWeight: 402.41453

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=S)NC(=C1)C)C#N.C1=C(NC(=S)N=C1)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=S)NC(=C1)C)C#N.C1=C(NC(=S)N=C1)C(F)(F)F

InChI

InChI=1S/C10H10N2O2S.C5H3F3N2S/c1-3-14-10(13)7-4-6(2)12-9(15)8(7)5-11;6-5(7,8)3-1-2-9-4(11)10-3/h4H,3H2,1-2H3,(H,12,15);1-2H,(H,9,10,11)