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

Systemtic Name: 5-tert-butyl-2-(6-chloranyl-1,3-benzothiazol-2-yl)-4H-pyrazol-3-one Openeye Name: 5-tert-butyl-2-(6-chloro-1,3-benzothiazol-2-yl)-4H-pyrazol-3-one CAS Name: 5-tert-butyl-2-(6-chloro-1,3-benzothiazol-2-yl)-4H-pyrazol-3-one IUPAC Name: 5-tert-butyl-2-(6-chloro-1,3-benzothiazol-2-yl)-4H-pyrazol-3-one Traditional Name: 5-tert-butyl-2-(6-chloro-1,3-benzothiazol-2-yl)-2-pyrazolin-3-one Formula: C14H14ClN3OS MolecularWeight: 307.79846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1)C2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1)C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C14H14ClN3OS/c1-14(2,3)11-7-12(19)18(17-11)13-16-9-5-4-8(15)6-10(9)20-13/h4-6H,7H2,1-3H3