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

Systemtic Name: N-butan-2-yl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4OS/c1-3-16(2)24-20(28)15-29-22-26-25-21(18-11-7-8-12-19(18)23)27(22)14-13-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,24,28)