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

Systemtic Name: N-[6-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridazin-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[6-[2-(3-acetylanilino)-2-oxo-ethyl]sulfanylpyridazin-3-yl]-3-fluoro-benzamide CAS Name: N-[6-[[2-(3-acetylanilino)-2-oxoethyl]thio]-3-pyridazinyl]-3-fluorobenzamide IUPAC Name: N-[6-[2-(3-acetylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-3-fluorobenzamide Traditional Name: N-[6-[[2-(3-acetylanilino)-2-keto-ethyl]thio]pyridazin-3-yl]-3-fluoro-benzamide Formula: C21H17FN4O3S MolecularWeight: 424.448083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN4O3S/c1-13(27)14-4-3-7-17(11-14)23-19(28)12-30-20-9-8-18(25-26-20)24-21(29)15-5-2-6-16(22)10-15/h2-11H,12H2,1H3,(H,23,28)(H,24,25,29)