2-(4-tert-butylphenyl)sulfanyl-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-(5-keto-1-phenyl-2-pyrazolin-3-yl)acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)15-9-11-17(12-10-15)27-14-19(25)22-18-13-20(26)24(23-18)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,22,23,25)