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2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidine
2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]pyrimidine
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Descriptors Computed from Structure
Canonical SMILES:
CC1=NC(=NC(=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)Cl
Isomeric SMILES
CC1=NC(=NC(=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H16ClN3O2S/c1-14-12-18(9-4-15-5-10-19(11-6-15)24(25)26)23-20(22-14)27-13-16-2-7-17(21)8-3-16/h2-12H,13H2,1H3/b9-4+
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