2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)furan-3-one

Systemtic Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)furan-3-one Openeye Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)furan-3-one CAS Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)-3-furanone IUPAC Name: 2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)furan-3-one Traditional Name: 2-ethyl-5-(4-mesylphenyl)-2-methyl-4-(1H-pyrazol-4-yl)furan-3-one Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CNN=C3)C

Isomeric SMILES

CCC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CNN=C3)C

InChI

InChI=1S/C17H18N2O4S/c1-4-17(2)16(20)14(12-9-18-19-10-12)15(23-17)11-5-7-13(8-6-11)24(3,21)22/h5-10H,4H2,1-3H3,(H,18,19)