N-(4-methylphenyl)-4-(4-methylsulfanylphenyl)-5-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: N-(4-methylphenyl)-4-(4-methylsulfanylphenyl)-5-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 3-allyl-4-(4-methylsulfanylphenyl)-5-phenyl-N-(p-tolyl)thiazol-3-ium-2-amine bromide CAS Name: N-(4-methylphenyl)-4-[4-(methylthio)phenyl]-5-phenyl-3-prop-2-enyl-2-thiazol-3-iumamine bromide IUPAC Name: N-(4-methylphenyl)-4-(4-methylsulfanylphenyl)-5-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [3-allyl-4-[4-(methylthio)phenyl]-5-phenyl-thiazol-3-ium-2-yl]-(p-tolyl)amine bromide Formula: C26H25BrN2S2 MolecularWeight: 509.5241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=[N+](C(=C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)SC)CC=C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=[N+](C(=C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)SC)CC=C.[Br-]

InChI

InChI=1S/C26H24N2S2.BrH/c1-4-18-28-24(20-12-16-23(29-3)17-13-20)25(21-8-6-5-7-9-21)30-26(28)27-22-14-10-19(2)11-15-22;/h4-17H,1,18H2,2-3H3;1H