2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide Formula: C22H23FN4O2S MolecularWeight: 426.507023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C22H23FN4O2S/c1-4-11-27-19(13-29-21-15(2)7-5-8-16(21)3)25-26-22(27)30-14-20(28)24-18-10-6-9-17(23)12-18/h4-10,12H,1,11,13-14H2,2-3H3,(H,24,28)