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2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide
2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F
Isomeric SMILES
CC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H14F3N3OS/c1-10-5-6-13-14(7-10)23-16(22-13)25-9-15(24)21-12-4-2-3-11(8-12)17(18,19)20/h2-8H,9H2,1H3,(H,21,24)(H,22,23)/p+1
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