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

Systemtic Name: (4-iodophenyl) 5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (4-iodophenyl) 5-chloro-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxylic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 5-chloro-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxylic acid (4-iodophenyl) ester Formula: C19H14ClIN2O2S MolecularWeight: 496.74913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)I)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)I)Cl

InChI

InChI=1S/C19H14ClIN2O2S/c1-12-4-2-3-5-13(12)11-26-19-22-10-16(20)17(23-19)18(24)25-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3