5-bromanyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C19H12BrFN4OS2 MolecularWeight: 475.357183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)Br

InChI

InChI=1S/C19H12BrFN4OS2/c20-13-9-22-18(27-10-11-4-2-1-3-5-11)24-16(13)17(26)25-19-23-14-7-6-12(21)8-15(14)28-19/h1-9H,10H2,(H,23,25,26)