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

Systemtic Name: [6-[cyano(naphthalen-1-yl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-propan-2-yl-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [6-[cyano(1-naphthyl)methyl]-5-isopropyl-2-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[cyano(1-naphthalenyl)methyl]-2-[(4-methoxyphenyl)methylthio]-5-propan-2-yl-4-pyrimidinyl] ester IUPAC Name: [6-[cyano(naphthalen-1-yl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-propan-2-ylpyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-[cyano(1-naphthyl)methyl]-5-isopropyl-2-(p-anisylthio)pyrimidin-4-yl] ester Formula: C34H31N3O4S2 MolecularWeight: 609.75764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2C(C)C)C(C#N)C3=CC=CC4=CC=CC=C43)SCC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2C(C)C)C(C#N)C3=CC=CC4=CC=CC=C43)SCC5=CC=C(C=C5)OC

InChI

InChI=1S/C34H31N3O4S2/c1-22(2)31-32(30(20-35)29-11-7-9-25-8-5-6-10-28(25)29)36-34(42-21-24-14-16-26(40-4)17-15-24)37-33(31)41-43(38,39)27-18-12-23(3)13-19-27/h5-19,22,30H,21H2,1-4H3