[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: [5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: [5-(3-chloro-4-fluoro-phenyl)-2-furyl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: [5-(3-chloro-4-fluorophenyl)-2-furanyl]methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: [5-(3-chloro-4-fluoro-phenyl)-2-furyl]methyl-[3-(2-pyrimidylthio)propyl]ammonium Formula: C18H18ClFN3OS+ MolecularWeight: 378.871423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCC[NH2+]CC2=CC=C(O2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CN=C(N=C1)SCCC[NH2+]CC2=CC=C(O2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H17ClFN3OS/c19-15-11-13(3-5-16(15)20)17-6-4-14(24-17)12-21-7-2-10-25-18-22-8-1-9-23-18/h1,3-6,8-9,11,21H,2,7,10,12H2/p+1