4-(1,3-benzodioxol-5-ylmethylidene)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylidene)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethylene)-2-[4-(4-fluorophenyl)thiazol-2-yl]-5-methyl-pyrazol-3-one CAS Name: 4-(1,3-benzodioxol-5-ylmethylidene)-2-[4-(4-fluorophenyl)-2-thiazolyl]-5-methyl-3-pyrazolone IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylidene)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-one Traditional Name: 2-[4-(4-fluorophenyl)thiazol-2-yl]-5-methyl-4-piperonylidene-2-pyrazolin-3-one Formula: C21H14FN3O3S MolecularWeight: 407.417563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=NC(=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=NC(=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H14FN3O3S/c1-12-16(8-13-2-7-18-19(9-13)28-11-27-18)20(26)25(24-12)21-23-17(10-29-21)14-3-5-15(22)6-4-14/h2-10H,11H2,1H3