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

Systemtic Name: 5-(3-bromanyl-4-methoxy-phenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(3-bromo-4-methoxy-phenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(3-bromo-4-methoxyphenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(3-bromo-4-methoxyphenyl)-4-(4-fluorophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(3-bromo-4-methoxy-phenyl)-4-(4-fluorophenyl)-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C21H16BrClFN3OS MolecularWeight: 492.791643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F)Br.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=C(C=C4)F)Br.[Cl-]

InChI

InChI=1S/C21H16BrFN3OS.ClH/c1-27-19-12-7-14(13-18(19)22)20-26(17-10-8-15(23)9-11-17)25-21(28-20)24-16-5-3-2-4-6-16;/h2-13H,1H3,(H,24,25);1H/q+1;/p-1