7-fluoranyl-6-(1-methyl-5-methylsulfanyl-3-oxidanylidene-1,2,4-triazolidin-4-yl)-4-prop-2-ynyl-1,4-benzoxazin-3-one

Systemtic Name: 7-fluoranyl-6-(1-methyl-5-methylsulfanyl-3-oxidanylidene-1,2,4-triazolidin-4-yl)-4-prop-2-ynyl-1,4-benzoxazin-3-one Openeye Name: 7-fluoro-6-(1-methyl-5-methylsulfanyl-3-oxo-1,2,4-triazolidin-4-yl)-4-prop-2-ynyl-1,4-benzoxazin-3-one CAS Name: 7-fluoro-6-[1-methyl-5-(methylthio)-3-oxo-1,2,4-triazolidin-4-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one IUPAC Name: 7-fluoro-6-(1-methyl-5-methylsulfanyl-3-oxo-1,2,4-triazolidin-4-yl)-4-prop-2-ynyl-1,4-benzoxazin-3-one Traditional Name: 7-fluoro-6-[3-keto-1-methyl-5-(methylthio)-1,2,4-triazolidin-4-yl]-4-propargyl-1,4-benzoxazin-3-one Formula: C15H15FN4O3S MolecularWeight: 350.368003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C(=O)N1)C2=C(C=C3C(=C2)N(C(=O)CO3)CC#C)F)SC

Isomeric SMILES

CN1C(N(C(=O)N1)C2=C(C=C3C(=C2)N(C(=O)CO3)CC#C)F)SC

InChI

InChI=1S/C15H15FN4O3S/c1-4-5-19-11-7-10(9(16)6-12(11)23-8-13(19)21)20-14(22)17-18(2)15(20)24-3/h1,6-7,15H,5,8H2,2-3H3,(H,17,22)