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

Systemtic Name: 5-[(E)-2-(4-methoxyphenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-[(E)-2-(4-methoxyphenyl)vinyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-[(E)-2-(4-methoxyphenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-[(E)-2-(4-methoxyphenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-[(E)-2-(4-methoxyphenyl)vinyl]-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C23H20N3OS+ MolecularWeight: 386.4894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N3OS/c1-27-21-15-12-18(13-16-21)14-17-22-26(20-10-6-3-7-11-20)25-23(28-22)24-19-8-4-2-5-9-19/h2-17H,1H3,(H,24,25)/q+1/b17-14+