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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2CCCCC2C)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1[C@H]2CCCC[C@H]2C)SCC(=O)[O-]

InChI

InChI=1S/C14H23N3O2S/c1-3-6-12-15-16-14(20-9-13(18)19)17(12)11-8-5-4-7-10(11)2/h10-11H,3-9H2,1-2H3,(H,18,19)/p-1/t10-,11+/m1/s1