2-(1,3-benzothiazol-2-yl)-4-ethyl-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-methyl-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-methyl-3-pyrazolin-3-one Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C13H13N3OS/c1-3-9-8(2)15-16(12(9)17)13-14-10-6-4-5-7-11(10)18-13/h4-7,15H,3H2,1-2H3