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

Systemtic Name: 4-methyl-2-[(2-methylphenyl)methylsulfanyl]-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Openeye Name: 4-methyl-2-(o-tolylmethylsulfanyl)-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide CAS Name: 4-methyl-2-[(2-methylphenyl)methylthio]-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide IUPAC Name: 4-methyl-2-[(2-methylphenyl)methylsulfanyl]-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Traditional Name: 4-methyl-2-[(2-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=C3C

Isomeric SMILES

CCCN(C1=NC=NN1)C(=O)C(CC(C)CCC2=CC=CC=C2)SCC3=CC=CC=C3C

InChI

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