(3E)-3-[[3-methyl-5-(3-methylbut-2-enylsulfanyl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-2-one

Systemtic Name: (3E)-3-[[3-methyl-5-(3-methylbut-2-enylsulfanyl)-1-phenyl-pyrazol-4-yl]methylidene]-1-benzofuran-2-one Openeye Name: (3E)-3-[[3-methyl-5-(3-methylbut-2-enylsulfanyl)-1-phenyl-pyrazol-4-yl]methylene]benzofuran-2-one CAS Name: (3E)-3-[[3-methyl-5-(3-methylbut-2-enylthio)-1-phenyl-4-pyrazolyl]methylidene]-2-benzofuranone IUPAC Name: (3E)-3-[[3-methyl-5-(3-methylbut-2-enylsulfanyl)-1-phenylpyrazol-4-yl]methylidene]-1-benzofuran-2-one Traditional Name: (3E)-3-[[3-methyl-5-(3-methylbut-2-enylthio)-1-phenyl-pyrazol-4-yl]methylene]coumaran-2-one Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C2C3=CC=CC=C3OC2=O)SCC=C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/2\C3=CC=CC=C3OC2=O)SCC=C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H22N2O2S/c1-16(2)13-14-29-23-20(17(3)25-26(23)18-9-5-4-6-10-18)15-21-19-11-7-8-12-22(19)28-24(21)27/h4-13,15H,14H2,1-3H3/b21-15+