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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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