N-cyclooctyl-2-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclooctyl-2-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-acetamide CAS Name: N-cyclooctyl-2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclooctyl-acetamide Formula: C22H29FN4O2S MolecularWeight: 432.554663

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCCC2)COC3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCCC2)COC3=CC=CC=C3F

InChI

InChI=1S/C22H29FN4O2S/c1-2-14-27-20(15-29-19-13-9-8-12-18(19)23)25-26-22(27)30-16-21(28)24-17-10-6-4-3-5-7-11-17/h2,8-9,12-13,17H,1,3-7,10-11,14-16H2,(H,24,28)