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

Systemtic Name: 2-[[4-methyl-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-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=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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