1-(4-chloranylthiophen-2-yl)-2-[4-methyl-2-(phenylmethyl)-1,3-thiazol-3-ium-3-yl]ethanone bromide

Systemtic Name: 1-(4-chloranylthiophen-2-yl)-2-[4-methyl-2-(phenylmethyl)-1,3-thiazol-3-ium-3-yl]ethanone bromide Openeye Name: 2-(2-benzyl-4-methyl-thiazol-3-ium-3-yl)-1-(4-chloro-2-thienyl)ethanone bromide CAS Name: 1-(4-chloro-2-thiophenyl)-2-[4-methyl-2-(phenylmethyl)-3-thiazol-3-iumyl]ethanone bromide IUPAC Name: 2-(2-benzyl-4-methyl-1,3-thiazol-3-ium-3-yl)-1-(4-chlorothiophen-2-yl)ethanone bromide Traditional Name: 2-(2-benzyl-4-methyl-thiazol-3-ium-3-yl)-1-(4-chloro-2-thienyl)ethanone bromide Formula: C17H15BrClNOS2 MolecularWeight: 428.7941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[N+]1CC(=O)C2=CC(=CS2)Cl)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CSC(=[N+]1CC(=O)C2=CC(=CS2)Cl)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H15ClNOS2.BrH/c1-12-10-22-17(7-13-5-3-2-4-6-13)19(12)9-15(20)16-8-14(18)11-21-16;/h2-6,8,10-11H,7,9H2,1H3;1H/q+1;/p-1