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

Systemtic Name: 3-fluoranyl-N-[6-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide Openeye Name: 3-fluoro-N-[6-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide CAS Name: 3-fluoro-N-[6-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-pyridazinyl]benzamide IUPAC Name: 3-fluoro-N-[6-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide Traditional Name: 3-fluoro-N-[6-[[2-keto-2-(phenethylamino)ethyl]thio]pyridazin-3-yl]benzamide Formula: C21H19FN4O2S MolecularWeight: 410.464563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O2S/c22-17-8-4-7-16(13-17)21(28)24-18-9-10-20(26-25-18)29-14-19(27)23-12-11-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,23,27)(H,24,25,28)