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

Systemtic Name: 3-nitro-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-benzaldehyde Openeye Name: 3-nitro-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-benzaldehyde CAS Name: 3-nitro-4-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]benzaldehyde IUPAC Name: 3-nitro-4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbenzaldehyde Traditional Name: 3-nitro-4-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]benzaldehyde Formula: C18H10F3N3O3S MolecularWeight: 405.35051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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