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

Systemtic Name: 8-bromanyl-2,3,4-trimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium Openeye Name: 8-bromo-2,3,4-trimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium CAS Name: 8-bromo-2,3,4-trimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium IUPAC Name: 8-bromo-2,3,4-trimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium Traditional Name: 8-bromo-2,3,4-trimethyl-pyrimido[2,1-b][1,3]benzothiazol-5-ium Formula: C13H12BrN2S+ MolecularWeight: 308.21678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2[N+](=C1C)C3=C(S2)C=C(C=C3)Br)C

Isomeric SMILES

CC1=C(N=C2[N+](=C1C)C3=C(S2)C=C(C=C3)Br)C

InChI

InChI=1S/C13H12BrN2S/c1-7-8(2)15-13-16(9(7)3)11-5-4-10(14)6-12(11)17-13/h4-6H,1-3H3/q+1