5-bromanyl-N-(3-chlorophenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(3-chlorophenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-(3-chlorophenyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(3-chlorophenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-(3-chlorophenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-(3-chlorophenyl)pyrimidine-4-carboxamide Formula: C18H13BrClN3OS MolecularWeight: 434.73732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrClN3OS/c19-15-10-21-18(25-11-12-5-2-1-3-6-12)23-16(15)17(24)22-14-8-4-7-13(20)9-14/h1-10H,11H2,(H,22,24)