(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-ethoxypropylamino)ethylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-ethoxypropylamino)ethylidene]-5-methyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-ethoxypropylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-ethoxypropylamino)ethylidene]-5-methyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-ethoxypropylamino)ethylidene]-5-methylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3-ethoxypropylamino)ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C)C

Isomeric SMILES

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

InChI

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