N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[[4-[(methylthio)methyl]benzoyl]amino]benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)CSC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)CSC

InChI

InChI=1S/C27H26N4O3S/c1-18-24(27(34)31(30(18)2)23-10-5-4-6-11-23)29-26(33)21-8-7-9-22(16-21)28-25(32)20-14-12-19(13-15-20)17-35-3/h4-16H,17H2,1-3H3,(H,28,32)(H,29,33)