[[(3-chloranyl-4-fluoranyl-phenyl)amino]-methylsulfanyl-methylidene]-(oxolan-2-ylmethyl)azanium iodide

Systemtic Name: [[(3-chloranyl-4-fluoranyl-phenyl)amino]-methylsulfanyl-methylidene]-(oxolan-2-ylmethyl)azanium iodide Openeye Name: [(3-chloro-4-fluoro-anilino)-methylsulfanyl-methylene]-(tetrahydrofuran-2-ylmethyl)ammonium iodide CAS Name: [(3-chloro-4-fluoroanilino)-(methylthio)methylidene]-(2-oxolanylmethyl)ammonium iodide IUPAC Name: [(3-chloro-4-fluoroanilino)-methylsulfanylmethylidene]-(oxolan-2-ylmethyl)azanium iodide Traditional Name: [(3-chloro-4-fluoro-anilino)-(methylthio)methylene]-(tetrahydrofurfuryl)ammonium iodide Formula: C13H17ClFIN2OS MolecularWeight: 430.707753

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=[NH+]CC1CCCO1)NC2=CC(=C(C=C2)F)Cl.[I-]

Isomeric SMILES

CSC(=[NH+]CC1CCCO1)NC2=CC(=C(C=C2)F)Cl.[I-]

InChI

InChI=1S/C13H16ClFN2OS.HI/c1-19-13(16-8-10-3-2-6-18-10)17-9-4-5-12(15)11(14)7-9;/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,17);1H