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

Systemtic Name: cyclohexyl 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=NC=C3

InChI

InChI=1S/C17H22N4O2S/c1-2-21-16(13-8-10-18-11-9-13)19-20-17(21)24-12-15(22)23-14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3