2-[methyl(thiolan-3-yl)amino]-N'-oxidanyl-5-(trifluoromethyl)benzenecarboximidamide

Systemtic Name: 2-[methyl(thiolan-3-yl)amino]-N'-oxidanyl-5-(trifluoromethyl)benzenecarboximidamide Openeye Name: N'-hydroxy-2-[methyl(tetrahydrothiophen-3-yl)amino]-5-(trifluoromethyl)benzamidine CAS Name: N'-hydroxy-2-[methyl(3-thiolanyl)amino]-5-(trifluoromethyl)benzenecarboximidamide IUPAC Name: N'-hydroxy-2-[methyl(thiolan-3-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide Traditional Name: N'-hydroxy-2-[methyl(tetrahydrothiophen-3-yl)amino]-5-(trifluoromethyl)benzamidine Formula: C13H16F3N3OS MolecularWeight: 319.34585

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C2=C(C=C(C=C2)C(F)(F)F)C(=NO)N

Isomeric SMILES

CN(C1CCSC1)C2=C(C=C(C=C2)C(F)(F)F)/C(=N/O)/N

InChI

InChI=1S/C13H16F3N3OS/c1-19(9-4-5-21-7-9)11-3-2-8(13(14,15)16)6-10(11)12(17)18-20/h2-3,6,9,20H,4-5,7H2,1H3,(H2,17,18)