[3-(4-fluorophenyl)-4-oxidanylidene-thiochromen-2-yl]-[(3-nitrophenyl)-oxidanyl-methylidene]azanium

Systemtic Name: [3-(4-fluorophenyl)-4-oxidanylidene-thiochromen-2-yl]-[(3-nitrophenyl)-oxidanyl-methylidene]azanium Openeye Name: [3-(4-fluorophenyl)-4-oxo-thiochromen-2-yl]-[hydroxy-(3-nitrophenyl)methylene]ammonium CAS Name: [3-(4-fluorophenyl)-4-oxo-1-benzothiopyran-2-yl]-[hydroxy-(3-nitrophenyl)methylidene]ammonium IUPAC Name: [3-(4-fluorophenyl)-4-oxothiochromen-2-yl]-[hydroxy-(3-nitrophenyl)methylidene]azanium Traditional Name: [3-(4-fluorophenyl)-4-keto-thiochromen-2-yl]-[hydroxy-(3-nitrophenyl)methylene]ammonium Formula: C22H14FN2O4S+ MolecularWeight: 421.420963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(S2)[NH+]=C(C3=CC(=CC=C3)[N+](=O)[O-])O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(S2)[NH+]=C(C3=CC(=CC=C3)[N+](=O)[O-])O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H13FN2O4S/c23-15-10-8-13(9-11-15)19-20(26)17-6-1-2-7-18(17)30-22(19)24-21(27)14-4-3-5-16(12-14)25(28)29/h1-12H,(H,24,27)/p+1