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

Systemtic Name: 2-[(2-fluoranyl-6-nitro-phenyl)methylsulfanyl]pyridine-4-carbothioamide Openeye Name: 2-[(2-fluoro-6-nitro-phenyl)methylsulfanyl]pyridine-4-carbothioamide CAS Name: 2-[(2-fluoro-6-nitrophenyl)methylthio]-4-pyridinecarbothioamide IUPAC Name: 2-[(2-fluoro-6-nitrophenyl)methylsulfanyl]pyridine-4-carbothioamide Traditional Name: 2-[(2-fluoro-6-nitro-benzyl)thio]thioisonicotinamide Formula: C13H10FN3O2S2 MolecularWeight: 323.365803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)CSC2=NC=CC(=C2)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)F)CSC2=NC=CC(=C2)C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C13H10FN3O2S2/c14-10-2-1-3-11(17(18)19)9(10)7-21-12-6-8(13(15)20)4-5-16-12/h1-6H,7H2,(H2,15,20)