cyclohexyl 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: cyclohexyl 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]acetic acid cyclohexyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N3O2S/c24-18(25-14-7-2-1-3-8-14)13-26-20-15(9-6-12-21-20)19-22-16-10-4-5-11-17(16)23-19/h4-6,9-12,14H,1-3,7-8,13H2,(H,22,23)