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

Systemtic Name: calcium 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]-1H-benzimidazole Openeye Name: calcium 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole CAS Name: calcium 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole IUPAC Name: calcium 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole Traditional Name: calcium 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole Formula: C18H21CaN3O3S+2 MolecularWeight: 399.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC.[Ca+2]

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC.[Ca+2]

InChI

InChI=1S/C18H21N3O3S.Ca/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;/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);/q;+2