3-nitro-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-benzaldehyde

Systemtic Name: 3-nitro-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-benzaldehyde Openeye Name: 3-nitro-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]benzaldehyde CAS Name: 3-nitro-4-[[5-(trifluoromethyl)-2-pyridinyl]thio]benzaldehyde IUPAC Name: 3-nitro-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzaldehyde Traditional Name: 3-nitro-4-[[5-(trifluoromethyl)-2-pyridyl]thio]benzaldehyde Formula: C13H7F3N2O3S MolecularWeight: 328.26649

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=O)[N+](=O)[O-])SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C=O)[N+](=O)[O-])SC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H7F3N2O3S/c14-13(15,16)9-2-4-12(17-6-9)22-11-3-1-8(7-19)5-10(11)18(20)21/h1-7H