4-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyrimidine

Systemtic Name: 4-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyrimidine Openeye Name: 4-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyrimidine CAS Name: 4-[(4-nitrophenyl)methylthio]-6-phenylpyrimidine IUPAC Name: 4-[(4-nitrophenyl)methylsulfanyl]-6-phenylpyrimidine Traditional Name: 4-[(4-nitrobenzyl)thio]-6-phenyl-pyrimidine Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O2S/c21-20(22)15-8-6-13(7-9-15)11-23-17-10-16(18-12-19-17)14-4-2-1-3-5-14/h1-10,12H,11H2