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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-3-7-14-13(12-19-10-6-11-24-2)17(23)22(21-14)18-20-15-8-4-5-9-16(15)25-18/h4-5,8-9,12,19H,3,6-7,10-11H2,1-2H3