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

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C15H17N4O2S- MolecularWeight: 317.38608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C15H18N4O2S/c20-13(21)10-22-15-18-17-14(11-6-8-16-9-7-11)19(15)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,20,21)/p-1