2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-(5-tert-butyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-tert-butyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C18H20F3N7OS MolecularWeight: 439.45791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=C(N2N)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=C(N2N)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H20F3N7OS/c1-17(2,3)12-9-13(28(26-12)11-7-5-4-6-8-11)23-14(29)10-30-16-25-24-15(27(16)22)18(19,20)21/h4-9H,10,22H2,1-3H3,(H,23,29)