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

Systemtic Name: 2-[[4-azanyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-acetamide CAS Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-pentylacetamide IUPAC Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentylacetamide Traditional Name: 2-[[4-amino-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-amyl-acetamide Formula: C15H20BrN5OS MolecularWeight: 398.3212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCCCNC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Br

InChI

InChI=1S/C15H20BrN5OS/c1-2-3-4-8-18-13(22)10-23-15-20-19-14(21(15)17)11-6-5-7-12(16)9-11/h5-7,9H,2-4,8,10,17H2,1H3,(H,18,22)