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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(3-chloro-4-fluorophenyl)-5-(3-pyridinylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-(3-pyridylmethyl)-1,3,5-triazinan-5-ium-2-thione Formula: C15H15ClFN4S+ MolecularWeight: 337.822803

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)N(C[NH+]1CC2=CN=CC=C2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1NC(=S)N(C[NH+]1CC2=CN=CC=C2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C15H14ClFN4S/c16-13-6-12(3-4-14(13)17)21-10-20(9-19-15(21)22)8-11-2-1-5-18-7-11/h1-7H,8-10H2,(H,19,22)/p+1