2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-phenyl-ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-phenyl-ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-phenyl-acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-phenylacetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylacetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-phenyl-acetamide Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H22N4O3S/c1-17-22(25(32)30(29(17)2)19-13-7-4-8-14-19)28-24(31)23(18-11-5-3-6-12-18)34-26-27-20-15-9-10-16-21(20)33-26/h3-16,23H,1-2H3,(H,28,31)