4-(1-methylimidazol-2-yl)sulfanyl-N'-oxidanyl-2-(trifluoromethyl)benzenecarboximidamide

Systemtic Name: 4-(1-methylimidazol-2-yl)sulfanyl-N'-oxidanyl-2-(trifluoromethyl)benzenecarboximidamide Openeye Name: N'-hydroxy-4-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)benzamidine CAS Name: N'-hydroxy-4-[(1-methyl-2-imidazolyl)thio]-2-(trifluoromethyl)benzenecarboximidamide IUPAC Name: N'-hydroxy-4-(1-methylimidazol-2-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide Traditional Name: N'-hydroxy-4-[(1-methylimidazol-2-yl)thio]-2-(trifluoromethyl)benzamidine Formula: C12H11F3N4OS MolecularWeight: 316.30215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC(=C(C=C2)C(=NO)N)C(F)(F)F

Isomeric SMILES

CN1C=CN=C1SC2=CC(=C(C=C2)/C(=N/O)/N)C(F)(F)F

InChI

InChI=1S/C12H11F3N4OS/c1-19-5-4-17-11(19)21-7-2-3-8(10(16)18-20)9(6-7)12(13,14)15/h2-6,20H,1H3,(H2,16,18)