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

Systemtic Name: 5-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [4-[5-anilino-3-(4-fluorophenyl)-1,3,4-thiadiazol-3-ium-2-yl]phenyl]-dimethyl-amine chloride Formula: C22H20ClFN4S MolecularWeight: 426.937403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN4S.ClH/c1-26(2)19-12-8-16(9-13-19)21-27(20-14-10-17(23)11-15-20)25-22(28-21)24-18-6-4-3-5-7-18;/h3-15H,1-2H3,(H,24,25);1H/q+1;/p-1