2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]-1H-benzimidazole; propan-2-amine

Systemtic Name: 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]-1H-benzimidazole; propan-2-amine Openeye Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole; propan-2-amine CAS Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole; 2-propanamine IUPAC Name: 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole; propan-2-amine Traditional Name: isopropylamine; 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC.CC(C)N

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC.CC(C)N

InChI

InChI=1S/C18H21N3O3S.C3H9N/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;1-3(2)4/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);3H,4H2,1-2H3