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

Systemtic Name: N-hexyl-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: N-hexyl-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide CAS Name: N-hexyl-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: N-hexyl-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentanamide Traditional Name: N-hexyl-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]valeramide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4OS/c1-3-4-5-10-19-27-24(31)14-9-11-20-32-26-29-28-25(22-17-15-21(2)16-18-22)30(26)23-12-7-6-8-13-23/h6-8,12-13,15-18H,3-5,9-11,14,19-20H2,1-2H3,(H,27,31)