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

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-N-propyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(CCC)C1=NC=NN1)SCC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCC(C(=O)N(CCC)C1=NC=NN1)SCC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C19H28N4OS/c1-5-7-17(25-12-16-10-14(3)9-15(4)11-16)18(24)23(8-6-2)19-20-13-21-22-19/h9-11,13,17H,5-8,12H2,1-4H3,(H,20,21,22)