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

Systemtic Name: 5-[(E)-2-(3-methoxyphenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-[(E)-2-(3-methoxyphenyl)vinyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-[(E)-2-(3-methoxyphenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-[(E)-2-(3-methoxyphenyl)ethenyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-[(E)-2-(3-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=CC(=C1)C=CC2=[N+](N=C(S2)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H20N3OS/c1-27-21-14-8-9-18(17-21)15-16-22-26(20-12-6-3-7-13-20)25-23(28-22)24-19-10-4-2-5-11-19/h2-17H,1H3,(H,24,25)/q+1/b16-15+