3-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-3-ium-5-yl]-4H-1,4-benzothiazine bromide

Systemtic Name: 3-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-3-ium-5-yl]-4H-1,4-benzothiazine bromide Openeye Name: 3-[2-(4-chlorophenyl)-4-methyl-thiazol-3-ium-5-yl]-4H-1,4-benzothiazine bromide CAS Name: 3-[2-(4-chlorophenyl)-4-methyl-5-thiazol-3-iumyl]-4H-1,4-benzothiazine bromide IUPAC Name: 3-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-3-ium-5-yl]-4H-1,4-benzothiazine bromide Traditional Name: 3-[2-(4-chlorophenyl)-4-methyl-thiazol-3-ium-5-yl]-4H-1,4-benzothiazine bromide Formula: C18H14BrClN2S2 MolecularWeight: 437.80416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[NH+]1)C2=CC=C(C=C2)Cl)C3=CSC4=CC=CC=C4N3.[Br-]

Isomeric SMILES

CC1=C(SC(=[NH+]1)C2=CC=C(C=C2)Cl)C3=CSC4=CC=CC=C4N3.[Br-]

InChI

InChI=1S/C18H13ClN2S2.BrH/c1-11-17(15-10-22-16-5-3-2-4-14(16)21-15)23-18(20-11)12-6-8-13(19)9-7-12;/h2-10,21H,1H3;1H