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

Systemtic Name: (4-iodophenyl) 5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate Openeye Name: (4-iodophenyl) 2-benzylsulfanyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethylthio)-4-pyrimidinecarboxylic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 2-benzylsulfanyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-(benzylthio)-5-chloro-pyrimidine-4-carboxylic acid (4-iodophenyl) ester Formula: C18H12ClIN2O2S MolecularWeight: 482.72255

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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)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClIN2O2S/c19-15-10-21-18(25-11-12-4-2-1-3-5-12)22-16(15)17(23)24-14-8-6-13(20)7-9-14/h1-10H,11H2