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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C20H29ClN4OS MolecularWeight: 408.98846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SC(C)C(=O)NCCC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SC(C)C(=O)NCCC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H29ClN4OS/c1-4-6-7-8-14-25-18(16-9-11-17(21)12-10-16)23-24-20(25)27-15(3)19(26)22-13-5-2/h9-12,15H,4-8,13-14H2,1-3H3,(H,22,26)