N,4-diphenyl-5-(4-phenylmethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: N,4-diphenyl-5-(4-phenylmethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(4-benzyloxyphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: N,4-diphenyl-5-(4-phenylmethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: N,4-diphenyl-5-(4-phenylmethoxyphenyl)-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(4-benzoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C27H22ClN3OS MolecularWeight: 472.00108

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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=CC=C5.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C27H22N3OS.ClH/c1-4-10-21(11-5-1)20-31-25-18-16-22(17-19-25)26-30(24-14-8-3-9-15-24)29-27(32-26)28-23-12-6-2-7-13-23;/h1-19H,20H2,(H,28,29);1H/q+1;/p-1