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

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3-fluorophenyl)methylthio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3-fluorobenzyl)thio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4OS/c1-2-7-20(29-15-18-10-6-11-19(23)14-18)21(28)27(22-24-16-25-26-22)13-12-17-8-4-3-5-9-17/h3-6,8-11,14,16,20H,2,7,12-13,15H2,1H3,(H,24,25,26)