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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-methoxyphenyl)-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-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-methoxyphenyl)-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=NN=CN2C3=CC(=CC=C3)OC)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NN=CN2C3=CC(=CC=C3)OC)C(C)C

InChI

InChI=1S/C21H29N3O3S/c1-14(2)18-9-8-15(3)10-19(18)27-20(25)12-28-21-23-22-13-24(21)16-6-5-7-17(11-16)26-4/h5-7,11,13-15,18-19H,8-10,12H2,1-4H3