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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(3-oxidanylpropylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(3-hydroxypropylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(3-hydroxypropylamino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(3-hydroxypropylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(3-hydroxypropylamino)methylene]-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=CNCCCO)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S/c1-2-6-13-12(11-18-9-5-10-22)16(23)21(20-13)17-19-14-7-3-4-8-15(14)24-17/h3-4,7-8,11,18,22H,2,5-6,9-10H2,1H3/b12-11-