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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methoxyphenyl)-1H-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)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC)C(C)C

InChI

InChI=1S/C21H29N3O3S/c1-13(2)17-10-5-14(3)11-18(17)27-19(25)12-28-21-22-20(23-24-21)15-6-8-16(26-4)9-7-15/h6-9,13-14,17-18H,5,10-12H2,1-4H3,(H,22,23,24)