5-chloranyl-N-(4-iodophenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-iodophenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(4-iodophenyl)-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-iodophenyl)-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-iodophenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(4-iodophenyl)-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C19H15ClIN3OS MolecularWeight: 495.76437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)I)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)I)Cl

InChI

InChI=1S/C19H15ClIN3OS/c1-12-3-2-4-13(9-12)11-26-19-22-10-16(20)17(24-19)18(25)23-15-7-5-14(21)6-8-15/h2-10H,11H2,1H3,(H,23,25)