(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-phenylazanylethylidene)-5-propyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-phenylazanylethylidene)-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-(1-anilinoethylidene)-2-(1,3-benzothiazol-2-yl)-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-(1-anilinoethylidene)-2-(1,3-benzothiazol-2-yl)-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-(1-anilinoethylidene)-2-(1,3-benzothiazol-2-yl)-5-propylpyrazol-3-one Traditional Name: (4Z)-4-(1-anilinoethylidene)-2-(1,3-benzothiazol-2-yl)-5-propyl-2-pyrazolin-3-one Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4OS/c1-3-9-17-19(14(2)22-15-10-5-4-6-11-15)20(26)25(24-17)21-23-16-12-7-8-13-18(16)27-21/h4-8,10-13,22H,3,9H2,1-2H3/b19-14-