2-[(3-fluorophenyl)methylsulfanyl]-N-phenethyl-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-phenethyl-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-phenethyl-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3-fluorophenyl)methylthio]-N-phenethyl-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-phenethyl-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3-fluorobenzyl)thio]-N-phenethyl-4-phenyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C28H29FN4OS MolecularWeight: 488.619463

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC(=CC=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC(CC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC(=CC=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C28H29FN4OS/c1-21(24-12-6-3-7-13-24)17-26(35-19-23-11-8-14-25(29)18-23)27(34)33(28-30-20-31-32-28)16-15-22-9-4-2-5-10-22/h2-14,18,20-21,26H,15-17,19H2,1H3,(H,30,31,32)