3-chloranyl-4-fluoranyl-N-[2-(4-oxidanylidene-1H-pyrimidin-6-yl)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[2-(4-oxidanylidene-1H-pyrimidin-6-yl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-4-fluoro-N-[2-(4-oxo-1H-pyrimidin-6-yl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-4-fluoro-N-[2-(4-oxo-1H-pyrimidin-6-yl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-4-fluoro-N-[2-(4-oxo-1H-pyrimidin-6-yl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-4-fluoro-N-[2-(4-keto-1H-pyrimidin-6-yl)ethyl]benzothiophene-2-carboxamide Formula: C15H11ClFN3O2S MolecularWeight: 351.783143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=C2Cl)C(=O)NCCC3=CC(=O)N=CN3)F

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=C2Cl)C(=O)NCCC3=CC(=O)N=CN3)F

InChI

InChI=1S/C15H11ClFN3O2S/c16-13-12-9(17)2-1-3-10(12)23-14(13)15(22)18-5-4-8-6-11(21)20-7-19-8/h1-3,6-7H,4-5H2,(H,18,22)(H,19,20,21)