(3-cyanophenyl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (3-cyanobenzyl) ester Formula: C14H10ClN3O2S MolecularWeight: 319.7661

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC2=CC=CC(=C2)C#N)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC2=CC=CC(=C2)C#N)Cl

InChI

InChI=1S/C14H10ClN3O2S/c1-21-14-17-7-11(15)12(18-14)13(19)20-8-10-4-2-3-9(5-10)6-16/h2-5,7H,8H2,1H3