2-[(3-bromanyl-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(3-bromanyl-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(3-bromo-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(3-bromo-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(3-bromo-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(3-bromo-5,7-dimethyl-1H-imidazo[1,2-a]pyrimidin-4-ium-2-yl)methylthio]-1,3-benzothiazole Formula: C16H14BrN4S2+ MolecularWeight: 406.34316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=C(NC2=N1)CSC3=NC4=CC=CC=C4S3)Br)C

Isomeric SMILES

CC1=CC(=[N+]2C(=C(NC2=N1)CSC3=NC4=CC=CC=C4S3)Br)C

InChI

InChI=1S/C16H13BrN4S2/c1-9-7-10(2)21-14(17)12(19-15(21)18-9)8-22-16-20-11-5-3-4-6-13(11)23-16/h3-7H,8H2,1-2H3/p+1