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

Systemtic Name: 3-bromanyl-5,7-dimethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Openeye Name: 3-bromo-5,7-dimethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium CAS Name: 3-bromo-5,7-dimethyl-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium IUPAC Name: 3-bromo-5,7-dimethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Traditional Name: 3-bromo-5,7-dimethyl-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Formula: C17H16BrN6S+ MolecularWeight: 416.31814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=C(NC2=N1)CSC3=NN=CN3C4=CC=CC=C4)Br)C

Isomeric SMILES

CC1=CC(=[N+]2C(=C(NC2=N1)CSC3=NN=CN3C4=CC=CC=C4)Br)C

InChI

InChI=1S/C17H15BrN6S/c1-11-8-12(2)24-15(18)14(21-16(24)20-11)9-25-17-22-19-10-23(17)13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3/p+1