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

Systemtic Name: N-[(3,5-dimethylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-[(3,5-dimethylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-[(3,5-dimethylphenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-[(3,5-dimethylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-[(3,5-dimethylbenzyl)thio]-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4OS/c1-4-5-6-15(21)20(16-17-11-18-19-16)22-10-14-8-12(2)7-13(3)9-14/h7-9,11H,4-6,10H2,1-3H3,(H,17,18,19)