2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]pyridine-4-carbothioamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]pyridine-4-carbothioamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]pyridine-4-carbothioamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-4-pyridinecarbothioamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridine-4-carbothioamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]thioisonicotinamide Formula: C13H10ClFN2S2 MolecularWeight: 312.813303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSC2=NC=CC(=C2)C(=S)N)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=NC=CC(=C2)C(=S)N)F

InChI

InChI=1S/C13H10ClFN2S2/c14-10-2-1-3-11(15)9(10)7-19-12-6-8(13(16)18)4-5-17-12/h1-6H,7H2,(H2,16,18)