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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxyethylamino)ethylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxyethylamino)ethylidene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxyethylamino)ethylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxyethylamino)ethylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methoxyethylamino)ethylidene]-5-methyl-2-pyrazolin-3-one Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCCOC)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2S/c1-10(17-8-9-22-3)14-11(2)19-20(15(14)21)16-18-12-6-4-5-7-13(12)23-16/h4-7,17H,8-9H2,1-3H3/b14-10+