2-[(4R,5S)-5-[(4-fluorophenyl)carbamoyl]-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]-6-nitro-phenolate

Systemtic Name: 2-[(4R,5S)-5-[(4-fluorophenyl)carbamoyl]-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]-6-nitro-phenolate Openeye Name: 2-[(4R,5S)-5-[(4-fluorophenyl)carbamoyl]-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]-6-nitro-phenolate CAS Name: 2-[(4R,5S)-5-[(4-fluoroanilino)-oxomethyl]-6-methylene-2-sulfanylidene-1,3-diazinan-4-yl]-6-nitrophenolate IUPAC Name: 2-[(4R,5S)-5-[(4-fluorophenyl)carbamoyl]-6-methylidene-2-sulfanylidene-1,3-diazinan-4-yl]-6-nitrophenolate Traditional Name: 2-[(4R,5S)-5-[(4-fluorophenyl)carbamoyl]-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]-6-nitro-phenolate Formula: C18H14FN4O4S- MolecularWeight: 401.391563

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=C(C(=CC=C2)[N+](=O)[O-])[O-])C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=C(C(=CC=C2)[N+](=O)[O-])[O-])C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN4O4S/c1-9-14(17(25)21-11-7-5-10(19)6-8-11)15(22-18(28)20-9)12-3-2-4-13(16(12)24)23(26)27/h2-8,14-15,24H,1H2,(H,21,25)(H2,20,22,28)/p-1/t14-,15+/m1/s1