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

Systemtic Name: 2-[(4-butoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole Openeye Name: 2-[(4-butoxy-3-methyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole CAS Name: 2-[(4-butoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole IUPAC Name: 2-[(4-butoxy-3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole Traditional Name: 2-[(4-butoxy-3-methyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole Formula: C18H21N3O2S MolecularWeight: 343.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCCCOC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C18H21N3O2S/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)