5-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine

Systemtic Name: 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-[(E)-2-(4-ethoxyphenyl)vinyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: phenyl-[4-phenyl-5-[(E)-2-p-phenetylvinyl]-1,3,4-thiadiazol-4-ium-2-yl]amine Formula: C24H22N3OS+ MolecularWeight: 400.51598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H22N3OS/c1-2-28-22-16-13-19(14-17-22)15-18-23-27(21-11-7-4-8-12-21)26-24(29-23)25-20-9-5-3-6-10-20/h3-18H,2H2,1H3,(H,25,26)/q+1/b18-15+