5-nitro-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-benzaldehyde

Systemtic Name: 5-nitro-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-benzaldehyde Openeye Name: 5-nitro-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-benzaldehyde CAS Name: 5-nitro-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]benzaldehyde IUPAC Name: 5-nitro-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbenzaldehyde Traditional Name: 5-nitro-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]benzaldehyde Formula: C18H10F3N3O3S MolecularWeight: 405.35051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)C(F)(F)F

InChI

InChI=1S/C18H10F3N3O3S/c19-18(20,21)16-9-14(11-4-2-1-3-5-11)22-17(23-16)28-15-7-6-13(24(26)27)8-12(15)10-25/h1-10H