sodium 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCCOC.[Na+]

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCCOC.[Na+]

InChI

InChI=1S/C18H21N3O2S.Na/c1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);/q;+1