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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-(2-methylphenyl)sulfanylethanoylamino]benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[[2-(o-tolylsulfanyl)acetyl]amino]benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[2-(2-methylphenyl)sulfanylacetyl]amino]benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[[2-(o-tolylthio)acetyl]amino]benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

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