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

Systemtic Name: N-cyclooctyl-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-acetamide CAS Name: N-cyclooctyl-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclooctyl-acetamide Formula: C21H27FN4OS MolecularWeight: 402.528683

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4OS/c1-2-14-26-20(16-10-12-17(22)13-11-16)24-25-21(26)28-15-19(27)23-18-8-6-4-3-5-7-9-18/h2,10-13,18H,1,3-9,14-15H2,(H,23,27)