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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide CAS Name: 2-[(3-chlorophenyl)methylthio]-4-methyl-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Traditional Name: 2-[(3-chlorobenzyl)thio]-4-methyl-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Formula: C25H31ClN4OS MolecularWeight: 471.05784

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN4OS/c1-3-14-30(25-27-18-28-29-25)24(31)23(32-17-21-10-7-11-22(26)16-21)15-19(2)12-13-20-8-5-4-6-9-20/h4-11,16,18-19,23H,3,12-15,17H2,1-2H3,(H,27,28,29)