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

Systemtic Name: 4-methyl-2-[(3-methylphenyl)methylsulfanyl]-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Openeye Name: 4-methyl-2-(m-tolylmethylsulfanyl)-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide CAS Name: 4-methyl-2-[(3-methylphenyl)methylthio]-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide IUPAC Name: 4-methyl-2-[(3-methylphenyl)methylsulfanyl]-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Traditional Name: 4-methyl-2-[(3-methylbenzyl)thio]-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=NC=NN1)C(=O)C(CC(C)CCC2=CC=CC=C2)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCCN(C1=NC=NN1)C(=O)C(CC(C)CCC2=CC=CC=C2)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C26H34N4OS/c1-4-15-30(26-27-19-28-29-26)25(31)24(32-18-23-12-8-9-20(2)16-23)17-21(3)13-14-22-10-6-5-7-11-22/h5-12,16,19,21,24H,4,13-15,17-18H2,1-3H3,(H,27,28,29)