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

Systemtic Name: 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 4-(4-fluorophenyl)-5-[4-(methylthio)phenyl]-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [4-(4-fluorophenyl)-5-[4-(methylthio)phenyl]-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C21H17ClFN3S2 MolecularWeight: 429.961183

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F.[Cl-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F.[Cl-]

InChI

InChI=1S/C21H17FN3S2.ClH/c1-26-19-13-7-15(8-14-19)20-25(18-11-9-16(22)10-12-18)24-21(27-20)23-17-5-3-2-4-6-17;/h2-14H,1H3,(H,23,24);1H/q+1;/p-1