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

Systemtic Name: 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-3-nitro-benzaldehyde Openeye Name: 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-3-nitro-benzaldehyde CAS Name: 4-[[4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-3-nitrobenzaldehyde Traditional Name: 4-[[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-3-nitro-benzaldehyde Formula: C18H9ClF3N3O3S MolecularWeight: 439.79557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=N2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=N2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C18H9ClF3N3O3S/c19-12-4-2-11(3-5-12)13-8-16(18(20,21)22)24-17(23-13)29-15-6-1-10(9-26)7-14(15)25(27)28/h1-9H