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

Systemtic Name: 5-(3-bromanyl-4-methoxy-phenyl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(3-bromo-4-methoxy-phenyl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)-4-phenyl-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]-(4-ethylphenyl)amine chloride Formula: C23H21BrClN3OS MolecularWeight: 502.85434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H21BrN3OS.ClH/c1-3-16-9-12-18(13-10-16)25-23-26-27(19-7-5-4-6-8-19)22(29-23)17-11-14-21(28-2)20(24)15-17;/h4-15H,3H2,1-2H3,(H,25,26);1H/q+1;/p-1