N-[6-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[6-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[6-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylpyridazin-3-yl]-3-fluoro-benzamide CAS Name: N-[6-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridazinyl]-3-fluorobenzamide IUPAC Name: N-[6-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide Traditional Name: N-[6-[[2-(2,4-dimethoxyanilino)-2-keto-ethyl]thio]pyridazin-3-yl]-3-fluoro-benzamide Formula: C21H19FN4O4S MolecularWeight: 442.463363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC(=CC=C3)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC(=CC=C3)F)OC

InChI

InChI=1S/C21H19FN4O4S/c1-29-15-6-7-16(17(11-15)30-2)23-19(27)12-31-20-9-8-18(25-26-20)24-21(28)13-4-3-5-14(22)10-13/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25,28)