5-anthracen-9-yl-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: 5-anthracen-9-yl-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(9-anthryl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(9-anthracenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-anthracen-9-yl-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(9-anthryl)-4-(4-fluorophenyl)-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C28H19ClFN3S MolecularWeight: 483.986963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=C(C=C6)F.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=C(C=C6)F.[Cl-]

InChI

InChI=1S/C28H19FN3S.ClH/c29-21-14-16-23(17-15-21)32-27(33-28(31-32)30-22-10-2-1-3-11-22)26-24-12-6-4-8-19(24)18-20-9-5-7-13-25(20)26;/h1-18H,(H,30,31);1H/q+1;/p-1