4-but-3-yn-2-yl-7-fluoranyl-6-isothiocyanato-1,4-benzoxazin-3-one

Systemtic Name: 4-but-3-yn-2-yl-7-fluoranyl-6-isothiocyanato-1,4-benzoxazin-3-one Openeye Name: 7-fluoro-6-isothiocyanato-4-(1-methylprop-2-ynyl)-1,4-benzoxazin-3-one CAS Name: 4-but-3-yn-2-yl-7-fluoro-6-isothiocyanato-1,4-benzoxazin-3-one IUPAC Name: 4-but-3-yn-2-yl-7-fluoro-6-isothiocyanato-1,4-benzoxazin-3-one Traditional Name: 7-fluoro-6-isothiocyanato-4-(1-methylprop-2-ynyl)-1,4-benzoxazin-3-one Formula: C13H9FN2O2S MolecularWeight: 276.286163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)N1C(=O)COC2=C1C=C(C(=C2)F)N=C=S

Isomeric SMILES

CC(C#C)N1C(=O)COC2=C1C=C(C(=C2)F)N=C=S

InChI

InChI=1S/C13H9FN2O2S/c1-3-8(2)16-11-5-10(15-7-19)9(14)4-12(11)18-6-13(16)17/h1,4-5,8H,6H2,2H3