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

Systemtic Name: 4-(4-fluorophenyl)-N-phenyl-5-(2,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 4-(4-fluorophenyl)-N-phenyl-5-(2,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 4-(4-fluorophenyl)-N-phenyl-5-(2,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 4-(4-fluorophenyl)-N-phenyl-5-(2,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-asaryl-4-(4-fluorophenyl)-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C23H21FN3O3S+ MolecularWeight: 438.494543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F)OC)OC

InChI

InChI=1S/C23H21FN3O3S/c1-28-19-14-21(30-3)20(29-2)13-18(19)22-27(17-11-9-15(24)10-12-17)26-23(31-22)25-16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,26)/q+1