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

Systemtic Name: 4-(4-fluorophenyl)-N-phenyl-5-(4-phenylmethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(4-benzyloxyphenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 4-(4-fluorophenyl)-N-phenyl-5-(4-phenylmethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 4-(4-fluorophenyl)-N-phenyl-5-(4-phenylmethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-(4-benzoxyphenyl)-4-(4-fluorophenyl)-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C27H21FN3OS+ MolecularWeight: 454.538543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H21FN3OS/c28-22-13-15-24(16-14-22)31-26(33-27(30-31)29-23-9-5-2-6-10-23)21-11-17-25(18-12-21)32-19-20-7-3-1-4-8-20/h1-18H,19H2,(H,29,30)/q+1