ethyl 4-[(4-cyanophenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-cyanophenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-cyanophenyl)methylsulfanyl]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(4-cyanophenyl)methylthio]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyanophenyl)methylsulfanyl]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(4-cyanobenzyl)thio]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SCC2=CC=C(C=C2)C#N)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SCC2=CC=C(C=C2)C#N)SC

InChI

InChI=1S/C16H15N3O2S2/c1-3-21-15(20)13-9-18-16(22-2)19-14(13)23-10-12-6-4-11(8-17)5-7-12/h4-7,9H,3,10H2,1-2H3