8-bromanyl-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium

Systemtic Name: 8-bromanyl-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium Openeye Name: 8-bromo-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium CAS Name: 8-bromo-2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium IUPAC Name: 8-bromo-2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium Traditional Name: 8-bromo-2,4-dimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium Formula: C12H10BrN2S+ MolecularWeight: 294.1902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=C(C=C(C=C3)Br)SC2=N1)C

Isomeric SMILES

CC1=CC(=[N+]2C3=C(C=C(C=C3)Br)SC2=N1)C

InChI

InChI=1S/C12H10BrN2S/c1-7-5-8(2)15-10-4-3-9(13)6-11(10)16-12(15)14-7/h3-6H,1-2H3/q+1