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

Systemtic Name: 6-ethyl-5-(4-nitro-2-oxidanyl-phenyl)-4-phenyl-1H-pyrimidine-2-thione Openeye Name: 6-ethyl-5-(2-hydroxy-4-nitro-phenyl)-4-phenyl-1H-pyrimidine-2-thione CAS Name: 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-4-phenyl-1H-pyrimidine-2-thione IUPAC Name: 6-ethyl-5-(2-hydroxy-4-nitrophenyl)-4-phenyl-1H-pyrimidine-2-thione Traditional Name: 6-ethyl-5-(2-hydroxy-4-nitro-phenyl)-4-phenyl-1H-pyrimidine-2-thione Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=S)N1)C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C(=NC(=S)N1)C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H15N3O3S/c1-2-14-16(13-9-8-12(21(23)24)10-15(13)22)17(20-18(25)19-14)11-6-4-3-5-7-11/h3-10,22H,2H2,1H3,(H,19,20,25)