[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)C(C)C

InChI

InChI=1S/C22H30N4O2S/c1-14(2)18-7-4-15(3)12-19(18)28-20(27)13-29-22-25-24-21(26(22)17-5-6-17)16-8-10-23-11-9-16/h8-11,14-15,17-19H,4-7,12-13H2,1-3H3/t15-,18+,19-/m0/s1