octyl 2-[(4-ethylsulfanyl-3-methyl-pyridin-2-yl)methylsulfinyl]benzimidazole-1-carboxylate

Systemtic Name: octyl 2-[(4-ethylsulfanyl-3-methyl-pyridin-2-yl)methylsulfinyl]benzimidazole-1-carboxylate Openeye Name: octyl 2-[(4-ethylsulfanyl-3-methyl-2-pyridyl)methylsulfinyl]benzimidazole-1-carboxylate CAS Name: 2-[[4-(ethylthio)-3-methyl-2-pyridinyl]methylsulfinyl]-1-benzimidazolecarboxylic acid octyl ester IUPAC Name: octyl 2-[(4-ethylsulfanyl-3-methylpyridin-2-yl)methylsulfinyl]benzimidazole-1-carboxylate Traditional Name: 2-[[4-(ethylthio)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazole-1-carboxylic acid octyl ester Formula: C25H33N3O3S2 MolecularWeight: 487.67782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)N1C2=CC=CC=C2N=C1S(=O)CC3=NC=CC(=C3C)SCC

Isomeric SMILES

CCCCCCCCOC(=O)N1C2=CC=CC=C2N=C1S(=O)CC3=NC=CC(=C3C)SCC

InChI

InChI=1S/C25H33N3O3S2/c1-4-6-7-8-9-12-17-31-25(29)28-22-14-11-10-13-20(22)27-24(28)33(30)18-21-19(3)23(32-5-2)15-16-26-21/h10-11,13-16H,4-9,12,17-18H2,1-3H3