2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4CCCC4

InChI

InChI=1S/C22H28N6O2S/c1-4-27-20(16-10-8-9-11-16)24-25-22(27)31-14-18(29)23-19-15(2)26(3)28(21(19)30)17-12-6-5-7-13-17/h5-7,12-13,16H,4,8-11,14H2,1-3H3,(H,23,29)