2-[(2-fluorophenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 2-[(2-fluorophenyl)methylthio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 2-[(2-fluorobenzyl)thio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC=CC=C3F

InChI

InChI=1S/C20H21FN4OS/c1-15(27-13-17-9-5-6-10-18(17)21)19(26)25(20-22-14-23-24-20)12-11-16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3,(H,22,23,24)