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

Systemtic Name: 5-(3-ethoxy-4-methoxy-phenyl)-N-(2-methoxy-5-methyl-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-(3-ethoxy-4-methoxy-phenyl)-N-(2-methoxy-5-methyl-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-(3-ethoxy-4-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-(3-ethoxy-4-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-(3-ethoxy-4-methoxy-phenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-(2-methoxy-5-methyl-phenyl)amine Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N3O3S/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)/q+1