4-butyl-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one

Systemtic Name: 4-butyl-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one Openeye Name: 4-butyl-5-methyl-2-(4-phenylthiazol-2-yl)-1H-pyrazol-3-one CAS Name: 4-butyl-5-methyl-2-(4-phenyl-2-thiazolyl)-1H-pyrazol-3-one IUPAC Name: 4-butyl-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one Traditional Name: 4-butyl-5-methyl-2-(4-phenylthiazol-2-yl)-3-pyrazolin-3-one Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)C2=NC(=CS2)C3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=C(NN(C1=O)C2=NC(=CS2)C3=CC=CC=C3)C

InChI

InChI=1S/C17H19N3OS/c1-3-4-10-14-12(2)19-20(16(14)21)17-18-15(11-22-17)13-8-6-5-7-9-13/h5-9,11,19H,3-4,10H2,1-2H3