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

Systemtic Name: N-hexyl-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-hexyl-butanamide CAS Name: N-hexyl-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-hexylbutanamide Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-hexyl-butyramide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

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