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

Systemtic Name: N-hexyl-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-hexyl-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-hexyl-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-hexyl-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-hexyl-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]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)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4OS/c1-3-4-5-9-18-26-23(30)13-10-19-31-25-28-27-24(21-16-14-20(2)15-17-21)29(25)22-11-7-6-8-12-22/h6-8,11-12,14-17H,3-5,9-10,13,18-19H2,1-2H3,(H,26,30)