6-ethyl-5-(4-nitro-2-oxidanyl-phenyl)-1H-pyrimidine-2-thione

Systemtic Name: 6-ethyl-5-(4-nitro-2-oxidanyl-phenyl)-1H-pyrimidine-2-thione Openeye Name: 6-ethyl-5-(2-hydroxy-4-nitro-phenyl)-1H-pyrimidine-2-thione CAS Name: 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione IUPAC Name: 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-1H-pyrimidine-2-thione Traditional Name: 6-ethyl-5-(2-hydroxy-4-nitro-phenyl)-1H-pyrimidine-2-thione Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NC(=S)N1)C2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C=NC(=S)N1)C2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H11N3O3S/c1-2-10-9(6-13-12(19)14-10)8-4-3-7(15(17)18)5-11(8)16/h3-6,16H,2H2,1H3,(H,13,14,19)