cyclohexyl 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: cyclohexyl 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3CCCCC3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC3CCCCC3)C4=CN=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-16-9-11-18(12-10-16)26-21(17-6-5-13-23-14-17)24-25-22(26)29-15-20(27)28-19-7-3-2-4-8-19/h5-6,9-14,19H,2-4,7-8,15H2,1H3