2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)thio]-4-(trifluoromethyl)pyrimidine Formula: C13H10F3N3O3S MolecularWeight: 345.29701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C13H10F3N3O3S/c1-22-10-3-2-9(19(20)21)6-8(10)7-23-12-17-5-4-11(18-12)13(14,15)16/h2-6H,7H2,1H3