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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(5-tert-butyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-tert-butyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C17H21N7OS MolecularWeight: 371.45994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NNC(=N2)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NNC(=N2)N)C3=CC=CC=C3

InChI

InChI=1S/C17H21N7OS/c1-17(2,3)12-9-13(24(23-12)11-7-5-4-6-8-11)19-14(25)10-26-16-20-15(18)21-22-16/h4-9H,10H2,1-3H3,(H,19,25)(H3,18,20,21,22)