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

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H24N4O3S/c1-14-20(22(29)26(25(14)4)18-8-6-5-7-9-18)24-21(28)15(2)30-19-12-10-17(11-13-19)23-16(3)27/h5-13,15H,1-4H3,(H,23,27)(H,24,28)