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

Systemtic Name: 2-[[4-azanyl-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[4-amino-5-(3,5-dimethyl-1-pyrazolyl)-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C15H25N7OS MolecularWeight: 351.4703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1N)N2C(=CC(=N2)C)C

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1N)N2C(=CC(=N2)C)C

InChI

InChI=1S/C15H25N7OS/c1-4-5-6-7-8-17-13(23)10-24-15-19-18-14(21(15)16)22-12(3)9-11(2)20-22/h9H,4-8,10,16H2,1-3H3,(H,17,23)