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

Systemtic Name: N-(2-cyanophenyl)-2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-[[5-(2-fluorophenyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanophenyl)-2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanophenyl)-2-[[5-(2-fluorophenyl)-4-isobutyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H20FN5OS MolecularWeight: 409.479803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C#N)C3=CC=CC=C3F

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C#N)C3=CC=CC=C3F

InChI

InChI=1S/C21H20FN5OS/c1-14(2)12-27-20(16-8-4-5-9-17(16)22)25-26-21(27)29-13-19(28)24-18-10-6-3-7-15(18)11-23/h3-10,14H,12-13H2,1-2H3,(H,24,28)