2-[[4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C11H16N3O2S- MolecularWeight: 254.32864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C=NN=C2SCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1N2C=NN=C2SCC(=O)[O-]

InChI

InChI=1S/C11H17N3O2S/c1-8-4-2-3-5-9(8)14-7-12-13-11(14)17-6-10(15)16/h7-9H,2-6H2,1H3,(H,15,16)/p-1/t8-,9+/m0/s1