7-nitro-2-sulfanylidene-8-(trifluoromethyl)-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one

Systemtic Name: 7-nitro-2-sulfanylidene-8-(trifluoromethyl)-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one Openeye Name: 7-nitro-2-thioxo-8-(trifluoromethyl)-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one CAS Name: 7-nitro-2-sulfanylidene-8-(trifluoromethyl)-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-4-one IUPAC Name: 7-nitro-2-sulfanylidene-8-(trifluoromethyl)-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one Traditional Name: 7-nitro-2-thioxo-8-(trifluoromethyl)-1,5-dihydrochromeno[2,3-d]pyrimidin-4-one Formula: C12H6F3N3O4S MolecularWeight: 345.25395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2OC3=C1C(=O)NC(=S)N3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=C(C=C2OC3=C1C(=O)NC(=S)N3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H6F3N3O4S/c13-12(14,15)6-3-8-4(2-7(6)18(20)21)1-5-9(19)16-11(23)17-10(5)22-8/h2-3H,1H2,(H2,16,17,19,23)