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

Systemtic Name: 5-(3-bromanyl-4-methoxy-phenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(3-bromo-4-methoxy-phenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(3-bromo-4-methoxyphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(3-bromo-4-methoxyphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(3-bromo-4-methoxy-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C21H17BrClN3OS MolecularWeight: 474.80118

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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=CC=C4)Br.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN3OS.ClH/c1-26-19-13-12-15(14-18(19)22)20-25(17-10-6-3-7-11-17)24-21(27-20)23-16-8-4-2-5-9-16;/h2-14H,1H3,(H,23,24);1H/q+1;/p-1