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

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-butanamide Openeye Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-butanamide CAS Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-hexylbutanamide IUPAC Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexylbutanamide Traditional Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-hexyl-butyramide Formula: C24H29ClN4OS MolecularWeight: 457.03126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C24H29ClN4OS/c1-2-3-4-10-17-26-22(30)16-11-18-31-24-28-27-23(20-14-8-9-15-21(20)25)29(24)19-12-6-5-7-13-19/h5-9,12-15H,2-4,10-11,16-18H2,1H3,(H,26,30)