2-(1,3-benzothiazol-2-yl)-5-tert-butyl-4H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-tert-butyl-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-tert-butyl-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-tert-butyl-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-tert-butyl-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-tert-butyl-2-pyrazolin-3-one Formula: C14H15N3OS MolecularWeight: 273.3534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H15N3OS/c1-14(2,3)11-8-12(18)17(16-11)13-15-9-6-4-5-7-10(9)19-13/h4-7H,8H2,1-3H3