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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-tert-butyl-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-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C18H31N3O2S MolecularWeight: 353.52264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O2S/c1-11(2)13-8-7-12(3)9-14(13)23-15(22)10-24-17-19-16(20-21-17)18(4,5)6/h11-14H,7-10H2,1-6H3,(H,19,20,21)