sodium 2-[(4-butoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole

Systemtic Name: sodium 2-[(4-butoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole Openeye Name: sodium 2-[(4-butoxy-3-methyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole CAS Name: sodium 2-[(4-butoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole IUPAC Name: sodium 2-[(4-butoxy-3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole Traditional Name: sodium 2-[(4-butoxy-3-methyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole Formula: C18H21N3NaO2S+ MolecularWeight: 366.43301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2)C.[Na+]

Isomeric SMILES

CCCCOC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2)C.[Na+]

InChI

InChI=1S/C18H21N3O2S.Na/c1-3-4-11-23-17-9-10-19-16(13(17)2)12-24(22)18-20-14-7-5-6-8-15(14)21-18;/h5-10H,3-4,11-12H2,1-2H3,(H,20,21);/q;+1