(4-cyanophenyl) 5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate

Systemtic Name: (4-cyanophenyl) 5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate Openeye Name: (4-cyanophenyl) 2-benzylsulfanyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethylthio)-4-pyrimidinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-benzylsulfanyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-(benzylthio)-5-chloro-pyrimidine-4-carboxylic acid (4-cyanophenyl) ester Formula: C19H12ClN3O2S MolecularWeight: 381.83548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClN3O2S/c20-16-11-22-19(26-12-14-4-2-1-3-5-14)23-17(16)18(24)25-15-8-6-13(10-21)7-9-15/h1-9,11H,12H2