N-(2-cyano-3-methyl-butan-2-yl)-2-[[5-(2-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[5-(2-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(2-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide Traditional Name: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C23H24FN5OS MolecularWeight: 437.532963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C23H24FN5OS/c1-16(2)23(3,15-25)26-20(30)14-31-22-28-27-21(18-11-7-8-12-19(18)24)29(22)13-17-9-5-4-6-10-17/h4-12,16H,13-14H2,1-3H3,(H,26,30)