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

Systemtic Name: N-hexyl-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide Openeye Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-hexyl-pentanamide CAS Name: N-hexyl-5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]pentanamide IUPAC Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-hexylpentanamide Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-hexyl-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)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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