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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-phenyl-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-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S/c1-13(2)16-10-9-14(3)11-17(16)25-18(24)12-26-20-21-19(22-23-20)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,21,22,23)