calcium 2-[(4-methoxypyridin-2-yl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: calcium 2-[(4-methoxypyridin-2-yl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: calcium 2-[(4-methoxy-2-pyridyl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: calcium 2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: calcium 2-[(4-methoxypyridin-2-yl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: calcium 2-[(4-methoxy-2-pyridyl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole Formula: C15H12CaF3N3O2S+2 MolecularWeight: 395.41289

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F.[Ca+2]

Isomeric SMILES

COC1=CC(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F.[Ca+2]

InChI

InChI=1S/C15H12F3N3O2S.Ca/c1-23-11-4-5-19-10(7-11)8-24(22)14-20-12-3-2-9(15(16,17)18)6-13(12)21-14;/h2-7H,8H2,1H3,(H,20,21);/q;+2