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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O2S/c1-9(2)13-15-16-14(20-8-12(18)19)17(13)11-7-5-4-6-10(11)3/h9-11H,4-8H2,1-3H3,(H,18,19)/p-1/t10-,11+/m1/s1