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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxyethylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxyethylamino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxyethylamino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxyethylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxyethylamino)ethylidene]-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=C(C)NCCOC)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(\C)/NCCOC)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H22N4O2S/c1-4-7-14-16(12(2)19-10-11-24-3)17(23)22(21-14)18-20-13-8-5-6-9-15(13)25-18/h5-6,8-9,19H,4,7,10-11H2,1-3H3/b16-12+