[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)acetic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)acetic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C14H23N3O2S MolecularWeight: 297.41632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC=NN2)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)CSC2=NC=NN2)C(C)C

InChI

InChI=1S/C14H23N3O2S/c1-9(2)11-5-4-10(3)6-12(11)19-13(18)7-20-14-15-8-16-17-14/h8-12H,4-7H2,1-3H3,(H,15,16,17)/t10-,11-,12+/m0/s1