(5-methyl-2-propan-2-yl-cyclohexyl) 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC)C(C)C

InChI

InChI=1S/C22H31N3O3S/c1-14(2)18-11-6-15(3)12-19(18)28-20(26)13-29-22-24-23-21(25(22)4)16-7-9-17(27-5)10-8-16/h7-10,14-15,18-19H,6,11-13H2,1-5H3