(4-cyanophenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: (4-cyanophenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (4-cyanophenyl) 5-chloro-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxylic acid (4-cyanophenyl) ester Formula: C20H14ClN3O2S MolecularWeight: 395.86206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H14ClN3O2S/c1-13-3-2-4-15(9-13)12-27-20-23-11-17(21)18(24-20)19(25)26-16-7-5-14(10-22)6-8-16/h2-9,11H,12H2,1H3