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

Systemtic Name: N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-[4-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide IUPAC Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-2-[[4-[(2-phenylacetyl)amino]phenyl]thio]propionamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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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)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3S/c1-18(26(33)28-23-17-25(32)30(29-23)21-10-6-3-7-11-21)34-22-14-12-20(13-15-22)27-24(31)16-19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3,(H,27,31)(H,28,29,33)