2-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone

Systemtic Name: 2-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone Openeye Name: 2-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone CAS Name: 2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-1-[(2S,6S)-2,6-dimethyl-4-morpholinyl]ethanone IUPAC Name: 2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone Traditional Name: 2-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-1-[(2S,6S)-2,6-dimethylmorpholino]ethanone Formula: C24H33ClN4O3S MolecularWeight: 493.06182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)CSC2=NN=C(N2C3CCCCC3)COC4=C(C=C(C=C4)Cl)C

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C(=O)CSC2=NN=C(N2C3CCCCC3)COC4=C(C=C(C=C4)Cl)C

InChI

InChI=1S/C24H33ClN4O3S/c1-16-11-19(25)9-10-21(16)31-14-22-26-27-24(29(22)20-7-5-4-6-8-20)33-15-23(30)28-12-17(2)32-18(3)13-28/h9-11,17-18,20H,4-8,12-15H2,1-3H3/t17-,18-/m0/s1