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

Systemtic Name: 2-[[4-azanyl-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[4-amino-5-(3,5-dimethyl-1-pyrazolyl)-1,2,4-triazol-3-yl]thio]-N-butylacetamide IUPAC Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C13H21N7OS MolecularWeight: 323.41714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N7OS/c1-4-5-6-15-11(21)8-22-13-17-16-12(19(13)14)20-10(3)7-9(2)18-20/h7H,4-6,8,14H2,1-3H3,(H,15,21)