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

Systemtic Name: 3-(4-methyl-2-phenyl-1,3-thiazol-3-ium-5-yl)-4H-1,4-benzothiazine bromide Openeye Name: 3-(4-methyl-2-phenyl-thiazol-3-ium-5-yl)-4H-1,4-benzothiazine bromide CAS Name: 3-(4-methyl-2-phenyl-5-thiazol-3-iumyl)-4H-1,4-benzothiazine bromide IUPAC Name: 3-(4-methyl-2-phenyl-1,3-thiazol-3-ium-5-yl)-4H-1,4-benzothiazine bromide Traditional Name: 3-(4-methyl-2-phenyl-thiazol-3-ium-5-yl)-4H-1,4-benzothiazine bromide Formula: C18H15BrN2S2 MolecularWeight: 403.3591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2S2.BrH/c1-12-17(22-18(19-12)13-7-3-2-4-8-13)15-11-21-16-10-6-5-9-14(16)20-15;/h2-11,20H,1H3;1H