(2Z)-2-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5,6-dimethyl-benzofuran-3-one CAS Name: (2Z)-2-[[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-5,6-dimethyl-3-benzofuranone IUPAC Name: (2Z)-2-[[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-5,6-dimethyl-1-benzofuran-3-one Traditional Name: (2Z)-2-[[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-5,6-dimethyl-coumaran-3-one Formula: C28H24N2O2S MolecularWeight: 452.56736

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)C4=CC(=C(C=C4O3)C)C)C5=CC=CC=C5

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=CC(=C(C=C4O3)C)C)C5=CC=CC=C5

InChI

InChI=1S/C28H24N2O2S/c1-4-33-23-12-10-20(11-13-23)27-21(17-30(29-27)22-8-6-5-7-9-22)16-26-28(31)24-14-18(2)19(3)15-25(24)32-26/h5-17H,4H2,1-3H3/b26-16-