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

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C24H30N4OS MolecularWeight: 422.5862

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-4-8-22(30-16-21-14-18(2)13-19(3)15-21)23(29)28(24-25-17-26-27-24)12-11-20-9-6-5-7-10-20/h5-7,9-10,13-15,17,22H,4,8,11-12,16H2,1-3H3,(H,25,26,27)