2-(1,3-benzothiazol-2-yl)-4-[(oxolan-2-ylmethylamino)methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(oxolan-2-ylmethylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-propyl-4-[(tetrahydrofuran-2-ylmethylamino)methylene]pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-oxolanylmethylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(oxolan-2-ylmethylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-propyl-4-[(tetrahydrofurfurylamino)methylene]-2-pyrazolin-3-one Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCC2CCCO2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCC2CCCO2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H22N4O2S/c1-2-6-15-14(12-20-11-13-7-5-10-25-13)18(24)23(22-15)19-21-16-8-3-4-9-17(16)26-19/h3-4,8-9,12-13,20H,2,5-7,10-11H2,1H3