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

Systemtic Name: butan-2-amine; 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]-1H-benzimidazole Openeye Name: butan-2-amine; 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole CAS Name: 2-butanamine; 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole IUPAC Name: butan-2-amine; 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole Traditional Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole; sec-butylamine Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S.C4H11N/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;1-3-4(2)5/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);4H,3,5H2,1-2H3