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

Systemtic Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-4-13-25-20(14-27-21-16(2)9-8-10-17(21)3)23-24-22(25)28-15-19(26)18-11-6-5-7-12-18/h4-12H,1,13-15H2,2-3H3