2-(4-acetamidophenyl)sulfanyl-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)propanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)propanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(5-keto-1-phenyl-2-pyrazolin-3-yl)propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H20N4O3S/c1-13(28-17-10-8-15(9-11-17)21-14(2)25)20(27)22-18-12-19(26)24(23-18)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,21,25)(H,22,23,27)