2-[[5-[(2,6-dimethylphenoxy)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-isopropyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C(C)C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C(C)C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-15(2)25-20(13-27-21-16(3)9-8-10-17(21)4)23-24-22(25)28-14-19(26)18-11-6-5-7-12-18/h5-12,15H,13-14H2,1-4H3