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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-propan-2-yl-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-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C17H29N3O2S MolecularWeight: 339.49606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O2S/c1-10(2)13-7-6-12(5)8-14(13)22-15(21)9-23-17-18-16(11(3)4)19-20-17/h10-14H,6-9H2,1-5H3,(H,18,19,20)