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

Systemtic Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-18-10-9-11-19(2)24(18)30-16-23-26-27-25(28(23)21-14-7-4-8-15-21)31-17-22(29)20-12-5-3-6-13-20/h3-15H,16-17H2,1-2H3