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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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