[4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazol-3-yl]methanol

Systemtic Name: [4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazol-3-yl]methanol Openeye Name: [2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol CAS Name: [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-3-pyrazolyl]methanol IUPAC Name: [4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enylpyrazol-3-yl]methanol Traditional Name: [2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazol-3-yl]methanol Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC=C)CO)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC=C)CO)F

InChI

InChI=1S/C21H21FN2O4S/c1-4-11-24-18(13-25)20(15-7-10-19(28-2)17(22)12-15)21(23-24)14-5-8-16(9-6-14)29(3,26)27/h4-10,12,25H,1,11,13H2,2-3H3