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

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(furan-2-ylmethylamino)ethylidene]-5-propyl-pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-furylmethylamino)ethylidene]-5-propyl-pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-furanylmethylamino)ethylidene]-5-propyl-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(furan-2-ylmethylamino)ethylidene]-5-propylpyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-furfurylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCC2=CC=CO2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NCC2=CC=CO2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O2S/c1-3-7-16-18(13(2)21-12-14-8-6-11-26-14)19(25)24(23-16)20-22-15-9-4-5-10-17(15)27-20/h4-6,8-11,21H,3,7,12H2,1-2H3/b18-13-