5-bromanyl-N-phenyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-phenyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-phenyl-pyrimidine-4-carboxamide CAS Name: 5-bromo-N-phenyl-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-phenylpyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-phenyl-pyrimidine-4-carboxamide Formula: C18H14BrN3OS MolecularWeight: 400.29226

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3OS/c19-15-11-20-18(24-12-13-7-3-1-4-8-13)22-16(15)17(23)21-14-9-5-2-6-10-14/h1-11H,12H2,(H,21,23)