(4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(propylamino)ethylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(propylamino)ethylidene]pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(propylamino)ethylidene]pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(propylamino)ethylidene]-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(propylamino)ethylidene]pyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(propylamino)ethylidene]-2-pyrazolin-3-one Formula: C16H18N4OS MolecularWeight: 314.40532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4OS/c1-4-9-17-10(2)14-11(3)19-20(15(14)21)16-18-12-7-5-6-8-13(12)22-16/h5-8,17H,4,9H2,1-3H3/b14-10+