2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(2-fluorophenyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(2-fluorophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(2-fluorophenyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C21H23FN4OS/c1-15(2)26-20(17-10-6-7-11-18(17)22)24-25-21(26)28-14-19(27)23-13-12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,27)