1-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-(5-fluoranyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(5-fluoro-2-hydroxy-benzoyl)pyrazol-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[(5-fluoro-2-hydroxyphenyl)-oxomethyl]-1-pyrazolyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(5-fluoro-2-hydroxy-benzoyl)pyrazol-1-yl]-2-(2-thienyl)ethanone Formula: C16H11FN2O3S MolecularWeight: 330.333543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(=O)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)F)O

Isomeric SMILES

C1=CSC(=C1)CC(=O)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)F)O

InChI

InChI=1S/C16H11FN2O3S/c17-11-3-4-14(20)13(6-11)16(22)10-8-18-19(9-10)15(21)7-12-2-1-5-23-12/h1-6,8-9,20H,7H2