cyclohexyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: cyclohexyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC2CCCCC2)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC2CCCCC2)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H25N5O2S/c1-25-18(12-11-17-21-15-9-5-6-10-16(15)22-17)23-24-20(25)28-13-19(26)27-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H,21,22)