N-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5-dihydro-3H-pyridazine-2-carbothioamide

Systemtic Name: N-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5-dihydro-3H-pyridazine-2-carbothioamide Openeye Name: N-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5-dihydro-3H-pyridazine-2-carbothioamide CAS Name: N-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5-dihydro-3H-pyridazine-2-carbothioamide IUPAC Name: N-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5-dihydro-3H-pyridazine-2-carbothioamide Traditional Name: N-(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)-4,5-dihydro-3H-pyridazine-2-carbothioamide Formula: C16H15FN4O2S MolecularWeight: 346.379303

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)COC2=CC(=C(C=C21)NC(=S)N3CCCC=N3)F

Isomeric SMILES

C#CCN1C(=O)COC2=CC(=C(C=C21)NC(=S)N3CCCC=N3)F

InChI

InChI=1S/C16H15FN4O2S/c1-2-6-20-13-9-12(11(17)8-14(13)23-10-15(20)22)19-16(24)21-7-4-3-5-18-21/h1,5,8-9H,3-4,6-7,10H2,(H,19,24)