2-[[5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C14H22N3O2S- MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

CCCCC1CCC(CC1)C2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C14H23N3O2S/c1-2-3-4-10-5-7-11(8-6-10)13-15-14(17-16-13)20-9-12(18)19/h10-11H,2-9H2,1H3,(H,18,19)(H,15,16,17)/p-1