2-(1-methylimidazol-2-yl)sulfanyl-N'-oxidanyl-5-(trifluoromethyl)benzenecarboximidamide

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N'-oxidanyl-5-(trifluoromethyl)benzenecarboximidamide Openeye Name: N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)benzamidine CAS Name: N'-hydroxy-2-[(1-methyl-2-imidazolyl)thio]-5-(trifluoromethyl)benzenecarboximidamide IUPAC Name: N'-hydroxy-2-(1-methylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)benzenecarboximidamide Traditional Name: N'-hydroxy-2-[(1-methylimidazol-2-yl)thio]-5-(trifluoromethyl)benzamidine Formula: C12H11F3N4OS MolecularWeight: 316.30215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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