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

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-N-(4-fluorobenzyl)-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C23H27FN4OS MolecularWeight: 426.550083

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(CC1=CC=C(C=C1)F)C2=NC=NN2)SCC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCC(C(=O)N(CC1=CC=C(C=C1)F)C2=NC=NN2)SCC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H27FN4OS/c1-4-5-21(30-14-19-11-16(2)10-17(3)12-19)22(29)28(23-25-15-26-27-23)13-18-6-8-20(24)9-7-18/h6-12,15,21H,4-5,13-14H2,1-3H3,(H,25,26,27)