4-ethoxy-2-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyrimidine

Systemtic Name: 4-ethoxy-2-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyrimidine Openeye Name: 4-ethoxy-2-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyrimidine CAS Name: 4-ethoxy-2-[(4-nitrophenyl)methylthio]-6-phenylpyrimidine IUPAC Name: 4-ethoxy-2-[(4-nitrophenyl)methylsulfanyl]-6-phenylpyrimidine Traditional Name: 4-ethoxy-2-[(4-nitrobenzyl)thio]-6-phenyl-pyrimidine Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S/c1-2-25-18-12-17(15-6-4-3-5-7-15)20-19(21-18)26-13-14-8-10-16(11-9-14)22(23)24/h3-12H,2,13H2,1H3