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

Systemtic Name: 2-[(4-cyclohexyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-cyclohexyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-cyclohexyl-5-ethyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-cyclohexyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-cyclohexyl-5-ethyl-1,2,4-triazol-3-yl)thio]acetate Formula: C12H18N3O2S- MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2CCCCC2)SCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2CCCCC2)SCC(=O)[O-]

InChI

InChI=1S/C12H19N3O2S/c1-2-10-13-14-12(18-8-11(16)17)15(10)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,16,17)/p-1