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

Systemtic Name: N-[6-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[6-[2-(4-acetamidoanilino)-2-oxo-ethyl]sulfanylpyridazin-3-yl]-3-fluoro-benzamide CAS Name: N-[6-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-3-pyridazinyl]-3-fluorobenzamide IUPAC Name: N-[6-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide Traditional Name: N-[6-[[2-(4-acetamidoanilino)-2-keto-ethyl]thio]pyridazin-3-yl]-3-fluoro-benzamide Formula: C21H18FN5O3S MolecularWeight: 439.462723

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H18FN5O3S/c1-13(28)23-16-5-7-17(8-6-16)24-19(29)12-31-20-10-9-18(26-27-20)25-21(30)14-3-2-4-15(22)11-14/h2-11H,12H2,1H3,(H,23,28)(H,24,29)(H,25,26,30)