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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-methoxyethylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-methoxyethylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-methoxyethylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-methoxyethylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-methoxyethylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S/c1-3-6-13-12(11-18-9-10-23-2)16(22)21(20-13)17-19-14-7-4-5-8-15(14)24-17/h4-5,7-8,11,18H,3,6,9-10H2,1-2H3