4-butyl-2-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-butyl-2-(6-fluoranyl-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one Openeye Name: 4-butyl-2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one CAS Name: 4-butyl-2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-butyl-2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-one Traditional Name: 4-butyl-2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolin-3-one Formula: C15H16FN3OS MolecularWeight: 305.370443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)C2=NC3=C(S2)C=C(C=C3)F)C

Isomeric SMILES

CCCCC1=C(NN(C1=O)C2=NC3=C(S2)C=C(C=C3)F)C

InChI

InChI=1S/C15H16FN3OS/c1-3-4-5-11-9(2)18-19(14(11)20)15-17-12-7-6-10(16)8-13(12)21-15/h6-8,18H,3-5H2,1-2H3