2-[[5-methyl-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O2S/c1-8-5-3-4-6-10(8)15-9(2)13-14-12(15)18-7-11(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)/p-1/t8-,10+/m0/s1