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

Systemtic Name: 5-(3-ethoxy-4-methoxy-phenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(3-ethoxy-4-methoxy-phenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(3-ethoxy-4-methoxyphenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(3-ethoxy-4-methoxyphenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(3-ethoxy-4-methoxy-phenyl)-4-(4-fluorophenyl)-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C23H21ClFN3O2S MolecularWeight: 457.948143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F)OC.[Cl-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F)OC.[Cl-]

InChI

InChI=1S/C23H21FN3O2S.ClH/c1-3-29-21-15-16(9-14-20(21)28-2)22-27(19-12-10-17(24)11-13-19)26-23(30-22)25-18-7-5-4-6-8-18;/h4-15H,3H2,1-2H3,(H,25,26);1H/q+1;/p-1