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

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=NC=NN1)C(=O)C(CC(C)C2=CC=CC=C2)SCC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCN(C1=NC=NN1)C(=O)C(CC(C)C2=CC=CC=C2)SCC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C25H32N4OS/c1-5-11-29(25-26-17-27-28-25)24(30)23(15-20(4)22-9-7-6-8-10-22)31-16-21-13-18(2)12-19(3)14-21/h6-10,12-14,17,20,23H,5,11,15-16H2,1-4H3,(H,26,27,28)