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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N4O3S/c1-13-18(19(26)24(23(13)2)14-8-4-3-5-9-14)22-17(25)12-28-20-21-15-10-6-7-11-16(15)27-20/h3-11H,12H2,1-2H3,(H,22,25)