2-[(3,5-dimethylphenyl)methylsulfanyl]-4-methyl-N-(2-methylpropyl)-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-4-methyl-N-(2-methylpropyl)-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-isobutyl-4-methyl-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-4-methyl-N-(2-methylpropyl)-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-4-methyl-N-(2-methylpropyl)-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-N-isobutyl-4-methyl-6-phenyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Formula: C28H38N4OS MolecularWeight: 478.69252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC(CC(C)CCC2=CC=CC=C2)C(=O)N(CC(C)C)C3=NC=NN3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC(CC(C)CCC2=CC=CC=C2)C(=O)N(CC(C)C)C3=NC=NN3)C

InChI

InChI=1S/C28H38N4OS/c1-20(2)17-32(28-29-19-30-31-28)27(33)26(34-18-25-14-22(4)13-23(5)15-25)16-21(3)11-12-24-9-7-6-8-10-24/h6-10,13-15,19-21,26H,11-12,16-18H2,1-5H3,(H,29,30,31)