5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-pentanamide

Systemtic Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-pentanamide Openeye Name: N-pentyl-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-pentylpentanamide IUPAC Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentylpentanamide Traditional Name: N-amyl-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]valeramide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCNC(=O)CCCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H32N4OS/c1-3-4-9-18-26-23(30)13-8-10-19-31-25-28-27-24(21-16-14-20(2)15-17-21)29(25)22-11-6-5-7-12-22/h5-7,11-12,14-17H,3-4,8-10,13,18-19H2,1-2H3,(H,26,30)