4-bromanyl-N-[4-(4-chlorophenyl)-5-methyl-2-prop-2-enylimino-3H-1,3-thiazol-3-ium-3-yl]benzamide bromide

Systemtic Name: 4-bromanyl-N-[4-(4-chlorophenyl)-5-methyl-2-prop-2-enylimino-3H-1,3-thiazol-3-ium-3-yl]benzamide bromide Openeye Name: N-[2-allylimino-4-(4-chlorophenyl)-5-methyl-3H-thiazol-3-ium-3-yl]-4-bromo-benzamide bromide CAS Name: 4-bromo-N-[4-(4-chlorophenyl)-5-methyl-2-prop-2-enylimino-3H-thiazol-3-ium-3-yl]benzamide bromide IUPAC Name: 4-bromo-N-[4-(4-chlorophenyl)-5-methyl-2-prop-2-enylimino-3H-1,3-thiazol-3-ium-3-yl]benzamide bromide Traditional Name: N-[2-allylimino-4-(4-chlorophenyl)-5-methyl-4-thiazolin-3-ium-3-yl]-4-bromo-benzamide bromide Formula: C20H18Br2ClN3OS MolecularWeight: 543.70242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+](C(=NCC=C)S1)NC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CC1=C([NH+](C(=NCC=C)S1)NC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C20H17BrClN3OS.BrH/c1-3-12-23-20-25(24-19(26)15-4-8-16(21)9-5-15)18(13(2)27-20)14-6-10-17(22)11-7-14;/h3-11H,1,12H2,2H3,(H,24,26);1H