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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCSC1=NN=C(N1C2=CC=C(C=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CCCCSC1=NN=C(N1C2=CC=C(C=C2)C)CC3=CC=CC=C3

InChI

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