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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-butan-2-yl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-butan-2-ylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-butan-2-ylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C14H17BrN4OS MolecularWeight: 369.27998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC(C)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H17BrN4OS/c1-3-9(2)16-12(20)8-21-14-17-13(18-19-14)10-4-6-11(15)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,16,20)(H,17,18,19)