2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(trifluoromethyl)pyrimidine Formula: C14H10F3N3O4S MolecularWeight: 373.30711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC=CC(=N3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC=CC(=N3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H10F3N3O4S/c15-14(16,17)11-1-2-18-13(19-11)25-6-9-4-10(20(21)22)3-8-5-23-7-24-12(8)9/h1-4H,5-7H2