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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(phenethylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(phenethylamino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(phenethylamino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(phenethylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(phenethylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C23H24N4OS MolecularWeight: 404.52786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N4OS/c1-3-9-19-21(16(2)24-15-14-17-10-5-4-6-11-17)22(28)27(26-19)23-25-18-12-7-8-13-20(18)29-23/h4-8,10-13,24H,3,9,14-15H2,1-2H3/b21-16-