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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3F

InChI

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