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6-fluoranyl-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride

6-fluoranyl-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride

Systemtic Name:6-fluoranyl-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride
Openeye Name:2-(1-ethylpropylsulfanyl)-6-fluoro-1H-benzimidazole dihydrochloride
CAS Name:6-fluoro-2-(pentan-3-ylthio)-1H-benzimidazole dihydrochloride
IUPAC Name:6-fluoro-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride
Traditional Name:2-(1-ethylpropylthio)-6-fluoro-1H-benzimidazole dihydrochloride
Formula: C12H17Cl2FN2S
MolecularWeight: 311.246183
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=C(N1)C=C(C=C2)F.Cl.Cl


Isomeric SMILES

CCC(CC)SC1=NC2=C(N1)C=C(C=C2)F.Cl.Cl


InChI

InChI=1S/C12H15FN2S.2ClH/c1-3-9(4-2)16-12-14-10-6-5-8(13)7-11(10)15-12;;/h5-7,9H,3-4H2,1-2H3,(H,14,15);2*1H


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