2-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C16H21Cl2N5OS MolecularWeight: 402.34184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1N)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1N)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H21Cl2N5OS/c1-2-3-4-5-8-20-14(24)10-25-16-22-21-15(23(16)19)12-7-6-11(17)9-13(12)18/h6-7,9H,2-5,8,10,19H2,1H3,(H,20,24)