2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)furan-3-one

Systemtic Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)furan-3-one Openeye Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)furan-3-one CAS Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)-3-furanone IUPAC Name: 2,2-dimethyl-5-(4-methylsulfonylphenyl)-4-(1H-pyrazol-4-yl)furan-3-one Traditional Name: 5-(4-mesylphenyl)-2,2-dimethyl-4-(1H-pyrazol-4-yl)furan-3-one Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CNN=C3)C

Isomeric SMILES

CC1(C(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CNN=C3)C

InChI

InChI=1S/C16H16N2O4S/c1-16(2)15(19)13(11-8-17-18-9-11)14(22-16)10-4-6-12(7-5-10)23(3,20)21/h4-9H,1-3H3,(H,17,18)