4-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-[2-(1,3-benzoxazol-2-ylthio)acetyl]-2,5-dimethyl-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H24N4O3S/c1-16-14-20(22(31)15-34-26-27-21-12-8-9-13-23(21)33-26)17(2)29(16)24-18(3)28(4)30(25(24)32)19-10-6-5-7-11-19/h5-14H,15H2,1-4H3