1-(3-chloranyl-4-fluoranyl-phenyl)-5-propyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-propyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-propyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(3-chloro-4-fluorophenyl)-5-propyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-propyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-propyl-1,3,5-triazinan-5-ium-2-thione Formula: C12H16ClFN3S+ MolecularWeight: 288.791943

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CNC(=S)N(C1)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCC[NH+]1CNC(=S)N(C1)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C12H15ClFN3S/c1-2-5-16-7-15-12(18)17(8-16)9-3-4-11(14)10(13)6-9/h3-4,6H,2,5,7-8H2,1H3,(H,15,18)/p+1