2-[(E)-2-[(4-methylphenyl)amino]prop-1-enyl]-3,4-diphenyl-5H-1,3-thiazol-3-ium-4-ol bromide

Systemtic Name: 2-[(E)-2-[(4-methylphenyl)amino]prop-1-enyl]-3,4-diphenyl-5H-1,3-thiazol-3-ium-4-ol bromide Openeye Name: 2-[(E)-2-(4-methylanilino)prop-1-enyl]-3,4-diphenyl-5H-thiazol-3-ium-4-ol bromide CAS Name: 2-[(E)-2-(4-methylanilino)prop-1-enyl]-3,4-diphenyl-5H-thiazol-3-ium-4-ol bromide IUPAC Name: 2-[(E)-2-(4-methylanilino)prop-1-enyl]-3,4-diphenyl-5H-1,3-thiazol-3-ium-4-ol bromide Traditional Name: 3,4-diphenyl-2-[(E)-2-(p-toluidino)prop-1-enyl]-2-thiazolin-3-ium-4-ol bromide Formula: C25H25BrN2OS MolecularWeight: 481.4478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=CC2=[N+](C(CS2)(C3=CC=CC=C3)O)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)N/C(=C/C2=[N+](C(CS2)(C3=CC=CC=C3)O)C4=CC=CC=C4)/C.[Br-]

InChI

InChI=1S/C25H24N2OS.BrH/c1-19-13-15-22(16-14-19)26-20(2)17-24-27(23-11-7-4-8-12-23)25(28,18-29-24)21-9-5-3-6-10-21;/h3-17,28H,18H2,1-2H3;1H