4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]pyridin-3-olate

Systemtic Name: 4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]pyridin-3-olate Openeye Name: 4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]pyridin-3-olate CAS Name: 4-(hydroxymethyl)-2-methyl-5-[[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thio]methyl]-3-pyridinolate IUPAC Name: 4-(hydroxymethyl)-2-methyl-5-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanylmethyl]pyridin-3-olate Traditional Name: 2-methyl-4-methylol-5-[[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thio]methyl]pyridin-3-olate Formula: C16H13F3N3O2S- MolecularWeight: 368.35353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1[O-])CO)CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=NC=C(C(=C1[O-])CO)CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H14F3N3O2S/c1-8-14(24)11(6-23)9(5-20-8)7-25-15-21-12-3-2-10(16(17,18)19)4-13(12)22-15/h2-5,23-24H,6-7H2,1H3,(H,21,22)/p-1