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

Systemtic Name: N-(4-methoxyphenyl)-3-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine chloride Openeye Name: 2-benzyl-N-(4-methoxyphenyl)-3-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-amine chloride CAS Name: N-(4-methoxyphenyl)-3-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-thiadiazol-2-ium-5-amine chloride IUPAC Name: 2-benzyl-N-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2,4-thiadiazol-2-ium-5-amine chloride Traditional Name: [2-benzyl-3-(p-tolyl)-1,2,4-thiadiazol-2-ium-5-yl]-(4-methoxyphenyl)amine chloride Formula: C23H22ClN3OS MolecularWeight: 423.95828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=C(C=C3)OC)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=C(C=C3)OC)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H21N3OS.ClH/c1-17-8-10-19(11-9-17)22-25-23(24-20-12-14-21(27-2)15-13-20)28-26(22)16-18-6-4-3-5-7-18;/h3-15H,16H2,1-2H3;1H