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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C

InChI

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