S-(4-phenylpyrimidin-2-yl) 4-fluoranylbenzenecarbothioate

Systemtic Name: S-(4-phenylpyrimidin-2-yl) 4-fluoranylbenzenecarbothioate Openeye Name: S-(4-phenylpyrimidin-2-yl) 4-fluorobenzenecarbothioate CAS Name: 4-fluorobenzenecarbothioic acid S-(4-phenyl-2-pyrimidinyl) ester IUPAC Name: S-(4-phenylpyrimidin-2-yl) 4-fluorobenzenecarbothioate Traditional Name: 4-fluorothiobenzoic acid S-(4-phenylpyrimidin-2-yl) ester Formula: C17H11FN2OS MolecularWeight: 310.345443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC=C2)SC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC=C2)SC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H11FN2OS/c18-14-8-6-13(7-9-14)16(21)22-17-19-11-10-15(20-17)12-4-2-1-3-5-12/h1-11H