N-butyl-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C14H17ClN4OS MolecularWeight: 324.82898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H17ClN4OS/c1-2-3-8-16-12(20)9-21-14-17-13(18-19-14)10-6-4-5-7-11(10)15/h4-7H,2-3,8-9H2,1H3,(H,16,20)(H,17,18,19)