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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-(2-furylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(3-chloro-4-fluorophenyl)-5-(2-furanylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-(2-furfuryl)-1,3,5-triazinan-5-ium-2-thione Formula: C14H14ClFN3OS+ MolecularWeight: 326.796863

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CC2=CC=CO2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1NC(=S)N(C[NH+]1CC2=CC=CO2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C14H13ClFN3OS/c15-12-6-10(3-4-13(12)16)19-9-18(8-17-14(19)21)7-11-2-1-5-20-11/h1-6H,7-9H2,(H,17,21)/p+1