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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)F)CSC2=NC=CC(=C2)C(=S)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)F)CSC2=NC=CC(=C2)C(=S)N

InChI

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