4-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylthieno[2,3-d]pyrimidine

Systemtic Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylthieno[2,3-d]pyrimidine Openeye Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylthieno[2,3-d]pyrimidine CAS Name: 4-[[2-nitro-4-(trifluoromethyl)phenyl]thio]thieno[2,3-d]pyrimidine IUPAC Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylthieno[2,3-d]pyrimidine Traditional Name: 4-[[2-nitro-4-(trifluoromethyl)phenyl]thio]thieno[2,3-d]pyrimidine Formula: C13H6F3N3O2S2 MolecularWeight: 357.33085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C13H6F3N3O2S2/c14-13(15,16)7-1-2-10(9(5-7)19(20)21)23-12-8-3-4-22-11(8)17-6-18-12/h1-6H