6-[[3-(trifluoromethyl)phenyl]methoxy]pyrazine-2-carbothioamide

Systemtic Name: 6-[[3-(trifluoromethyl)phenyl]methoxy]pyrazine-2-carbothioamide Openeye Name: 6-[[3-(trifluoromethyl)phenyl]methoxy]pyrazine-2-carbothioamide CAS Name: 6-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyrazinecarbothioamide IUPAC Name: 6-[[3-(trifluoromethyl)phenyl]methoxy]pyrazine-2-carbothioamide Traditional Name: 6-[3-(trifluoromethyl)benzyl]oxythiopyrazinamide Formula: C13H10F3N3OS MolecularWeight: 313.29821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)COC2=NC(=CN=C2)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)COC2=NC(=CN=C2)C(=S)N

InChI

InChI=1S/C13H10F3N3OS/c14-13(15,16)9-3-1-2-8(4-9)7-20-11-6-18-5-10(19-11)12(17)21/h1-6H,7H2,(H2,17,21)