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

Systemtic Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H25N3O2S/c1-4-14-29-24(16-31-25-18(2)8-7-9-19(25)3)27-28-26(29)32-17-23(30)22-13-12-20-10-5-6-11-21(20)15-22/h4-13,15H,1,14,16-17H2,2-3H3