N-[6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylpyridazin-3-yl]-2-fluoro-benzamide CAS Name: N-[6-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-3-pyridazinyl]-2-fluorobenzamide IUPAC Name: N-[6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-2-fluorobenzamide Traditional Name: 2-fluoro-N-[6-[[2-keto-2-(piperonylamino)ethyl]thio]pyridazin-3-yl]benzamide Formula: C21H17FN4O4S MolecularWeight: 440.447483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NN=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H17FN4O4S/c22-15-4-2-1-3-14(15)21(28)24-18-7-8-20(26-25-18)31-11-19(27)23-10-13-5-6-16-17(9-13)30-12-29-16/h1-9H,10-12H2,(H,23,27)(H,24,25,28)