[6-[cyano(naphthalen-1-yl)methyl]-5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-[cyano(naphthalen-1-yl)methyl]-5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [6-[cyano(1-naphthyl)methyl]-5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[cyano(1-naphthalenyl)methyl]-5-ethyl-2-[(4-nitrophenyl)methylthio]-4-pyrimidinyl] ester IUPAC Name: [6-[cyano(naphthalen-1-yl)methyl]-5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-[cyano(1-naphthyl)methyl]-5-ethyl-2-[(4-nitrobenzyl)thio]pyrimidin-4-yl] ester Formula: C32H26N4O5S2 MolecularWeight: 610.70264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SCC3=CC=C(C=C3)[N+](=O)[O-])C(C#N)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCC1=C(N=C(N=C1OS(=O)(=O)C2=CC=C(C=C2)C)SCC3=CC=C(C=C3)[N+](=O)[O-])C(C#N)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C32H26N4O5S2/c1-3-26-30(29(19-33)28-10-6-8-23-7-4-5-9-27(23)28)34-32(42-20-22-13-15-24(16-14-22)36(37)38)35-31(26)41-43(39,40)25-17-11-21(2)12-18-25/h4-18,29H,3,20H2,1-2H3