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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Br

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Br

InChI

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