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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(2-methylphenyl)-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-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3C)C(C)C

InChI

InChI=1S/C22H31N3O2S/c1-14(2)17-11-10-15(3)12-19(17)27-20(26)13-28-22-24-23-21(25(22)5)18-9-7-6-8-16(18)4/h6-9,14-15,17,19H,10-13H2,1-5H3