3-fluoranyl-4-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-fluoranyl-4-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzenecarbothioamide Openeye Name: 3-fluoro-4-[(2-oxopyrimidin-1-yl)methyl]benzenecarbothioamide CAS Name: 3-fluoro-4-[(2-oxo-1-pyrimidinyl)methyl]benzenecarbothioamide IUPAC Name: 3-fluoro-4-[(2-oxopyrimidin-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-fluoro-4-[(2-ketopyrimidin-1-yl)methyl]thiobenzamide Formula: C12H10FN3OS MolecularWeight: 263.290703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1)CC2=C(C=C(C=C2)C(=S)N)F

Isomeric SMILES

C1=CN(C(=O)N=C1)CC2=C(C=C(C=C2)C(=S)N)F

InChI

InChI=1S/C12H10FN3OS/c13-10-6-8(11(14)18)2-3-9(10)7-16-5-1-4-15-12(16)17/h1-6H,7H2,(H2,14,18)