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

Systemtic Name: 5-(3-ethoxy-4-methoxy-phenyl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(3-ethoxy-4-methoxy-phenyl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(3-ethoxy-4-methoxyphenyl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(3-ethoxy-4-methoxyphenyl)-N-(4-ethylphenyl)-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]-(4-ethylphenyl)amine chloride Formula: C25H26ClN3O2S MolecularWeight: 468.01084

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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)OCC)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C25H26N3O2S.ClH/c1-4-18-11-14-20(15-12-18)26-25-27-28(21-9-7-6-8-10-21)24(31-25)19-13-16-22(29-3)23(17-19)30-5-2;/h6-17H,4-5H2,1-3H3,(H,26,27);1H/q+1;/p-1