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

Systemtic Name: 5-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(4-dimethylaminophenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [4-[5-anilino-3-(4-fluorophenyl)-1,3,4-thiadiazol-3-ium-2-yl]phenyl]-dimethyl-amine Formula: C22H20FN4S+ MolecularWeight: 391.484403

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN4S/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)/q+1