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

Systemtic Name: 2-[[5-cyclopropyl-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C14H20N3O2S- MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC(=O)[O-])C3CC3

Isomeric SMILES

C[C@H]1CCCC[C@H]1N2C(=NN=C2SCC(=O)[O-])C3CC3

InChI

InChI=1S/C14H21N3O2S/c1-9-4-2-3-5-11(9)17-13(10-6-7-10)15-16-14(17)20-8-12(18)19/h9-11H,2-8H2,1H3,(H,18,19)/p-1/t9-,11+/m0/s1