2-quinazolin-4-ylsulfanyl-N-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]ethanamide

Systemtic Name: 2-quinazolin-4-ylsulfanyl-N-[4,5,6-tris(fluoranyl)-1,3-benzothiazol-2-yl]ethanamide Openeye Name: 2-quinazolin-4-ylsulfanyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(4-quinazolinylthio)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-quinazolin-4-ylsulfanyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(quinazolin-4-ylthio)-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide Formula: C17H9F3N4OS2 MolecularWeight: 406.40477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=NC4=C(S3)C=C(C(=C4F)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=NC4=C(S3)C=C(C(=C4F)F)F

InChI

InChI=1S/C17H9F3N4OS2/c18-9-5-11-15(14(20)13(9)19)24-17(27-11)23-12(25)6-26-16-8-3-1-2-4-10(8)21-7-22-16/h1-5,7H,6H2,(H,23,24,25)