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

Systemtic Name: 5-(3-ethoxy-4-methoxy-phenyl)-N-(2-methoxy-5-methyl-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(3-ethoxy-4-methoxy-phenyl)-N-(2-methoxy-5-methyl-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(3-ethoxy-4-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(3-ethoxy-4-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(3-ethoxy-4-methoxy-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-(2-methoxy-5-methyl-phenyl)amine chloride Formula: C25H26ClN3O3S MolecularWeight: 484.01024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=[N+](N=C(S2)NC3=C(C=CC(=C3)C)OC)C4=CC=CC=C4)OC.[Cl-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=[N+](N=C(S2)NC3=C(C=CC(=C3)C)OC)C4=CC=CC=C4)OC.[Cl-]

InChI

InChI=1S/C25H26N3O3S.ClH/c1-5-31-23-16-18(12-14-22(23)30-4)24-28(19-9-7-6-8-10-19)27-25(32-24)26-20-15-17(2)11-13-21(20)29-3;/h6-16H,5H2,1-4H3,(H,26,27);1H/q+1;/p-1