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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-benzyl-1-(3-chloro-4-fluoro-phenyl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 1-(3-chloro-4-fluorophenyl)-5-(phenylmethyl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-benzyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-benzyl-1-(3-chloro-4-fluoro-phenyl)-1,3,5-triazinan-5-ium-2-thione Formula: C16H16ClFN3S+ MolecularWeight: 336.834743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClFN3S/c17-14-8-13(6-7-15(14)18)21-11-20(10-19-16(21)22)9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,19,22)/p+1