5-chloranyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorobenzyl)thio]pyrimidine-4-carboxamide Formula: C19H11ClF2N4OS2 MolecularWeight: 448.896646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)Cl)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)Cl)F

InChI

InChI=1S/C19H11ClF2N4OS2/c20-13-8-23-18(28-9-10-1-3-11(21)4-2-10)25-16(13)17(27)26-19-24-14-6-5-12(22)7-15(14)29-19/h1-8H,9H2,(H,24,26,27)