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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methylpropylamino)ethylidene]-5-phenyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(isobutylamino)ethylidene]-5-phenyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methylpropylamino)ethylidene]-5-phenyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-methylpropylamino)ethylidene]-5-phenylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(isobutylamino)ethylidene]-5-phenyl-2-pyrazolin-3-one Formula: C22H22N4OS MolecularWeight: 390.50128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C

Isomeric SMILES

CC(C)CN/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)/C

InChI

InChI=1S/C22H22N4OS/c1-14(2)13-23-15(3)19-20(16-9-5-4-6-10-16)25-26(21(19)27)22-24-17-11-7-8-12-18(17)28-22/h4-12,14,23H,13H2,1-3H3/b19-15-