5-chloranyl-N-(4-iodophenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-iodophenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-(4-iodophenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-iodophenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-(4-iodophenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-(4-iodophenyl)pyrimidine-4-carboxamide Formula: C18H13ClIN3OS MolecularWeight: 481.73779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClIN3OS/c19-15-10-21-18(25-11-12-4-2-1-3-5-12)23-16(15)17(24)22-14-8-6-13(20)7-9-14/h1-10H,11H2,(H,22,24)