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

Systemtic Name: 3-(4-methoxyphenyl)-N,2-diphenyl-1,2,4-thiadiazol-2-ium-5-amine chloride Openeye Name: 3-(4-methoxyphenyl)-N,2-diphenyl-1,2,4-thiadiazol-2-ium-5-amine chloride CAS Name: 3-(4-methoxyphenyl)-N,2-diphenyl-1,2,4-thiadiazol-2-ium-5-amine chloride IUPAC Name: 3-(4-methoxyphenyl)-N,2-diphenyl-1,2,4-thiadiazol-2-ium-5-amine chloride Traditional Name: [3-(4-methoxyphenyl)-2-phenyl-1,2,4-thiadiazol-2-ium-5-yl]-phenyl-amine chloride Formula: C21H18ClN3OS MolecularWeight: 395.90512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H17N3OS.ClH/c1-25-19-14-12-16(13-15-19)20-23-21(22-17-8-4-2-5-9-17)26-24(20)18-10-6-3-7-11-18;/h2-15H,1H3;1H