5,6-dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]thio]thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylthieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]thio]thieno[2,3-d]pyrimidine Formula: C15H10F3N3O2S2 MolecularWeight: 385.38401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C15H10F3N3O2S2/c1-7-8(2)24-13-12(7)14(20-6-19-13)25-11-4-3-9(15(16,17)18)5-10(11)21(22)23/h3-6H,1-2H3